Relevant bibliographies by topics / Interaction functionals

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Interaction functionals'

Author: Grafiati
Published: 14 March 2023

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Journal articles on the topic "Interaction functionals"

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Carrillo, J. A., M. G. Delgadino, and F. S. Patacchini. "Existence of ground states for aggregation-diffusion equations." Analysis and Applications 17, no. 03 (May 2019): 393–423. http://dx.doi.org/10.1142/s0219530518500276.

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We analyze free energy functionals for macroscopic models of multi-agent systems interacting via pairwise attractive forces and localized repulsion. The repulsion at the level of the continuous description is modeled by pressure-related terms in the functional making it energetically favorable to spread, while the attraction is modeled through nonlocal forces. We give conditions on general entropies and interaction potentials for which neither ground states nor local minimizers exist. We show that these results are sharp for homogeneous functionals with entropies leading to degenerate diffusions while they are not sharp for fast diffusions. The particular relevant case of linear diffusion is totally clarified giving a sharp condition on the interaction potential under which the corresponding free energy functional has ground states or not.
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Stein, Frederick, Jürg Hutter, and Vladimir V. Rybkin. "Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and Evaluation." Molecules 25, no. 21 (November 6, 2020): 5174. http://dx.doi.org/10.3390/molecules25215174.

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Intermolecular interactions play an important role for the understanding of catalysis, biochemistry and pharmacy. Double-hybrid density functionals (DHDFs) combine the proper treatment of short-range interactions of common density functionals with the correct description of long-range interactions of wave-function correlation methods. Up to now, there are only a few benchmark studies available examining the performance of DHDFs in condensed phase. We studied the performance of a small but diverse selection of DHDFs implemented within Gaussian and plane waves formalism on cohesive energies of four representative dispersion interaction dominated crystal structures. We found that the PWRB95 and ωB97X-2 functionals provide an excellent description of long-ranged interactions in solids. In addition, we identified numerical issues due to the extreme grid dependence of the underlying density functional for PWRB95. The basis set superposition error (BSSE) and convergence with respect to the super cell size are discussed for two different large basis sets.
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VRETENAR, D., T. NIKŠIĆ, and P. RING. "RELATIVISTIC NUCLEAR ENERGY DENSITY FUNCTIONALS." International Journal of Modern Physics E 19, no. 04 (April 2010): 548–57. http://dx.doi.org/10.1142/s0218301310014960.

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A class of relativistic nuclear energy density functionals is explored, in which only nucleon degrees of freedom are explicitly used in the construction of effective interaction terms. Short-distance correlations, as well as intermediate and long-range dynamics, are encoded in the nucleon-density dependence of the strength functionals of an effective interaction Lagrangian. The resulting phenomenological effective interaction, adjusted to experimental binding energies of a large set of axially deformed nuclei, together with a new separable pairing interaction adjusted to reproduce the pairing gap in nuclear matter calculated with the Gogny force, is applied in triaxial relativistic Hartree-Bogoliubov calculations of sequences of heavy nuclei: Th , U , Pu , Cm , Cf , Fm , and No .
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Gedeon, Johannes, Jonathan Schmidt, Matthew J. P. Hodgson, Jack Wetherell, Carlos L. Benavides-Riveros, and Miguel A. L. Marques. "Machine learning the derivative discontinuity of density-functional theory." Machine Learning: Science and Technology 3, no. 1 (December 15, 2021): 015011. http://dx.doi.org/10.1088/2632-2153/ac3149.

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Abstract Machine learning is a powerful tool to design accurate, highly non-local, exchange-correlation functionals for density functional theory. So far, most of those machine learned functionals are trained for systems with an integer number of particles. As such, they are unable to reproduce some crucial and fundamental aspects, such as the explicit dependency of the functionals on the particle number or the infamous derivative discontinuity at integer particle numbers. Here we propose a solution to these problems by training a neural network as the universal functional of density-functional theory that (a) depends explicitly on the number of particles with a piece-wise linearity between the integer numbers and (b) reproduces the derivative discontinuity of the exchange-correlation energy. This is achieved by using an ensemble formalism, a training set containing fractional densities, and an explicitly discontinuous formulation.
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Nachtigallová, Dana, Markéta Davidová, and Petr Nachtigall. "Reliability of DFT Methods for Description of Cu Sites and Their Interaction with NO in Zeolites." Collection of Czechoslovak Chemical Communications 63, no. 8 (1998): 1202–12. http://dx.doi.org/10.1135/cccc19981202.

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The reliability of various DFT functionals for description of Cu sites and their interaction with NO in zeolites is tested. The dissociation energies of Cun+H2O and Cun+NO systems calculated with various DFT functionals are compared with those obtained at the MP2 and CCSD(T) levels of theory. It is concluded that hybrid density functional (B3LYP) gives reliable description of studied systems, while LDA seriously overestimates dissociation energies.
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Kendall, W. S., M. N. M. van Lieshout, and A. J. Baddeley. "Quermass-interaction processes: conditions for stability." Advances in Applied Probability 31, no. 2 (June 1999): 315–42. http://dx.doi.org/10.1239/aap/1029955137.

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We consider a class of random point and germ-grain processes, obtained using a rather natural weighting procedure. Given a Poisson point process, on each point one places a grain, a (possibly random) compact convex set. Let Ξ be the union of all grains. One can now construct new processes whose density is derived from an exponential of a linear combination of quermass functionals of Ξ. If only the area functional is used, then the area-interaction point process is recovered. New point processes arise if we include the perimeter length functional, or the Euler functional (number of components minus number of holes). The main question addressed by the paper is that of when the resulting point process is well-defined: geometric arguments are used to establish conditions for the point process to be stable in the sense of Ruelle.
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Kendall, W. S., M. N. M. van Lieshout, and A. J. Baddeley. "Quermass-interaction processes: conditions for stability." Advances in Applied Probability 31, no. 02 (June 1999): 315–42. http://dx.doi.org/10.1017/s0001867800009137.

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We consider a class of random point and germ-grain processes, obtained using a rather natural weighting procedure. Given a Poisson point process, on each point one places a grain, a (possibly random) compact convex set. Let Ξ be the union of all grains. One can now construct new processes whose density is derived from an exponential of a linear combination of quermass functionals of Ξ. If only the area functional is used, then the area-interaction point process is recovered. New point processes arise if we include the perimeter length functional, or the Euler functional (number of components minus number of holes). The main question addressed by the paper is that of when the resulting point process is well-defined: geometric arguments are used to establish conditions for the point process to be stable in the sense of Ruelle.
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Savin, Andreas, and Heinz-J�rgen Flad. "Density functionals for the Yukawa electron-electron interaction." International Journal of Quantum Chemistry 56, no. 4 (November 15, 1995): 327–32. http://dx.doi.org/10.1002/qua.560560417.

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Ontaneda, Jorge, Francesc Viñes, Francesc Illas, and Ricardo Grau-Crespo. "Double-well potential energy surface in the interaction between h-BN and Ni(111)." Physical Chemistry Chemical Physics 21, no. 21 (2019): 10888–94. http://dx.doi.org/10.1039/c8cp07880g.

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Density functional theory calculations with non-local correlation functionals, properly accounting for dispersion forces, predict the presence of two minima in the interaction energy between h-BN and Ni(111).
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ALMBLADH, C. O., U. VON BARTH, and R. VAN LEEUWEN. "VARIATIONAL TOTAL ENERGIES FROM Φ- AND Ψ- DERIVABLE THEORIES." International Journal of Modern Physics B 13, no. 05n06 (March 10, 1999): 535–41. http://dx.doi.org/10.1142/s0217979299000436.

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Starting from many-body perturbation theory we have constructed a new variational expression for the total energy of many-electron systems. This expression is a functional of two independent variables, the one-electron Green function and the screened Coulomb interaction. The new functional as well as a much older variational expression by Luttinger and Ward (LW) are tested on the interacting electron gas. Both functionals yield extraordinary accurate total energies although the new functional requires a much cruder input and is therefore easier to apply to more realistic systems.
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Dissertations / Theses on the topic "Interaction functionals"

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Modena, Stefano. "Interaction functionals, Glimm approximations and Lagrangian structure of BV solutions for Hyperbolic Systems of Conservation Laws." Doctoral thesis, SISSA, 2015. http://hdl.handle.net/20.500.11767/4873.

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This thesis is a contribution to the mathematical theory of Hyperbolic Conservation Laws. Three are the main results which we collect in this work. The first and the second result (denoted in the thesis by Theorem A and Theorem B respectively) deal with the following problem. The most comprehensive result about existence, uniqueness and stability of the solution to the Cauchy problem \begin{equation}\tag{$\mathcal C$} \label{E:abstract} \begin{cases} u_t + F(u)_x = 0, \\u(0, x) = \bar u(x), \end{cases} \end{equation} where $F: \R^N \to \R^N$ is strictly hyperbolic, $u = u(t,x) \in \R^N$, $t \geq 0$, $x \in \R$, $\TV(\bar u) \ll 1$, can be found in [Bianchini, Bressan 2005], where the well-posedness of \eqref{E:abstract} is proved by means of vanishing viscosity approximations. After the paper [Bianchini, Bressan 2005], however, it seemed worthwhile to develop a \emph{purely hyperbolic} theory (based, as in the genuinely nonlinear case, on Glimm or wavefront tracking approximations, and not on vanishing viscosity parabolic approximations) to prove existence, uniqueness and stability results. The reason of this interest can be mainly found in the fact that hyperbolic approximate solutions are much easier to study and to visualize than parabolic ones. Theorems A and B in this thesis are a contribution to this line of research. In particular, Theorem A proves an estimate on the change of the speed of the wavefronts present in a Glimm approximate solution when two of them interact; Theorem B proves the convergence of the Glimm approximate solutions to the weak admissible solution of \eqref{E:abstract} and provides also an estimate on the rate of convergence. Both theorems are proved in the most general setting when no assumption on $F$ is made except the strict hyperbolicity. The third result of the thesis, denoted by Theorem C, deals with the Lagrangian structure of the solution to \eqref{E:abstract}. The notion of Lagrangian flow is a well-established concept in the theory of the transport equation and in the study of some particular system of conservation laws, like the Euler equation. However, as far as we know, the general system of conservations laws \eqref{E:abstract} has never been studied from a Lagrangian point of view. This is exactly the subject of Theorem C, where a Lagrangian representation for the solution to the system \eqref{E:abstract} is explicitly constructed. The main reasons which led us to look for a Lagrangian representation of the solution of \eqref{E:abstract} are two: on one side, this Lagrangian representation provides the continuous counterpart in the exact solution of \eqref{E:abstract} to the well established theory of wavefront approximations; on the other side, it can lead to a deeper understanding of the behavior of the solutions in the general setting, when the characteristic field are not genuinely nonlinear or linearly degenerate.
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Berendsen, Judith [Verfasser], Jan-Frederik [Akademischer Betreuer] Pietschmann, and Marie-Therese [Gutachter] Wolfram. "Cross Diffusion and Nonlocal Interaction : Some Results on Energy Functionals and PDE Systems / Judith Berendsen ; Gutachter: Marie-Therese Wolfram ; Betreuer: Jan-Frederik Pietschmann." Chemnitz : Technische Universität Chemnitz, 2020. http://d-nb.info/1219664774/34.

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Deininger, Katrin. "Molecular and functional interaction of Ras/Rab interactor 1 and EphA4 receptor." Diss., lmu, 2007. http://nbn-resolving.de/urn:nbn:de:bvb:19-65466.

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Caufield, J. Harry. "Interactomics-Based Functional Analysis: Using Interaction Conservation To Probe Bacterial Protein Functions." VCU Scholars Compass, 2016. http://scholarscompass.vcu.edu/etd/4580.

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The emergence of genomics as a discrete field of biology has changed humanity’s understanding of our relationship with bacteria. Sequencing the genome of each newly-discovered bacterial species can reveal novel gene sequences, though the genome may contain genes coding for hundreds or thousands of proteins of unknown function (PUFs). In some cases, these coding sequences appear to be conserved across nearly all bacteria. Exploring the functional roles of these cases ideally requires an integrative, cross-species approach involving not only gene sequences but knowledge of interactions among their products. Protein interactions, studied at genome scale, extend genomics into the field of interactomics. I have employed novel computational methods to provide context for bacterial PUFs and to leverage the rich genomic, proteomic, and interactomic data available for hundreds of bacterial species. The methods employed in this study began with sets of protein complexes. I initially hypothesized that, if protein interactions reveal protein functions and interactions are frequently conserved through protein complexes, then conserved protein functions should be revealed through the extent of conservation of protein complexes and their components. The subsequent analyses revealed how partial protein complex conservation may, unexpectedly, be the rule rather than the exception. Next, I expanded the analysis by combining sets of thousands of experimental protein-protein interactions. Progressing beyond the scope of protein complexes into interactions across full proteomes revealed novel evolutionary consistencies across bacteria but also exposed deficiencies among interactomics-based approaches. I have concluded this study with an expansion beyond bacterial protein interactions and into those involving bacteriophage-encoded proteins. This work concerns emergent evolutionary properties among bacterial proteins. It is primarily intended to serve as a resource for microbiologists but is relevant to any research into evolutionary biology. As microbiomes and their occupants become increasingly critical to human health, similar approaches may become increasingly necessary.
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Bento, Marsal Eduardo. "Funcionais orbitais: investigação de estratégias de implementação no contexto da formulação Kohn-Sham da Teoria do Funcional da Densidade." Universidade do Estado de Santa Catarina, 2014. http://tede.udesc.br/handle/handle/1986.

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Made available in DSpace on 2016-12-12T20:15:51Z (GMT). No. of bitstreams: 1 Marsal Eduardo Bento.pdf: 1108751 bytes, checksum: c5c36b13c56d8d4fadcee9ddc5a9098e (MD5) Previous issue date: 2014-12-16
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The development of Density Functional Theory (DFT) has been focused primarily on two main pillars: (1) the pursuit of more accurate exchange-correlation (XC) density functionals; (2) the feasibility of computational implementation when dealing with many-body systems. In this context, this work is aimed on using one-dimensional quantum systems as theoretical laboratories to investigate the implementation of orbital functionals (OFs) of density. By definition, OFs are those which depend only implicitly on the density, via an explicit formulation in terms of Kohn-Sham orbitals. Typical examples are the XC functionals arising from the Perdew-Zunger self-interaction correction (PZSIC). Formally, via Kohn-Sham equations, the implementation of OFs must be performed by means of the optimized effective potential method (OEP), which is known by requiring an excessive computational effort even when dealing with few electrons systems (N ̴ 10). Here, we proceed a systematical investigation aiming to simplify or avoid the OEP procedure, taking as reference the implementation of the PZSIC correction applied to one-dimensional Hubbard chains.
O desenvolvimento da Teoria do Funcional da Densidade (DFT) tem se concentrado, sobretudo, em dois pilares fundamentais: (1) a busca por funcionais de troca e correlação (XC) mais precisos; (2) a viabilidade de implementação computacional diante de sistemas com muitos elétrons. Nesse contexto, o objetivo principal deste trabalho consiste em utilizar sistemas quânticos unidimensionais, mais simples de serem tratados numericamente, como laboratórios teóricos para o desenvolvimento de alternativas de implementação numérica de funcionais orbitais (OFs) da densidade. Por definição, OFs são todos aqueles que dependem apenas implicitamente da densidade, via formulação explícita em termos dos orbitais Kohn-Sham. Exemplos típicos são os funcionais XC advindos da correção de auto-interação de Perdew e Zunger (PZSIC). Formalmente, via equações de Kohn-Sham, a implementação de OFs deve ser procedida por meio do método do potencial efetivo otimizado (OEP) que, no contexto computacional, é conhecido por se tornar demasiadamente custoso, inclusive para sistemas com poucos elétrons (N ̴ 10). Sendo assim, investigamos, de forma sistemática, alternativas de simplificar ou evitar o procedimento OEP, tomando como referência a implementação da correção PZSIC aplicada a cadeias de Hubbard unidimensionais.
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Akkoyun, Emrah. "Parallelization Of Functional Flow To Predict Protein Functions." Master's thesis, METU, 2011. http://etd.lib.metu.edu.tr/upload/12612932/index.pdf.

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Protein-protein interaction networks provide important information about what the biological function of proteins whose roles are unknown might be in a cell. These interaction networks were analyzed by a variety of approaches by running them on a single computer and the roles of the proteins identified were used to predict the function of the proteins unidentified. The functional flow is an approach that takes the network connectivity, distance effect, topology of the network with local and global views into account. With these advantages, that the functional flow produces more accurate results on the prediction of protein functions was presented by the previos conducted researches. However, the application implemented for this approach could not be practically applied on the large and complex network produced for the complex species because of memory limitation. The purpose of this thesis is to provide a new application be implemented on the high computing performance where the application can be scaled on the large data sets. Therefore, Hadoop, one of the open source map/reduce environments, was installed on 18 hosts each of which has eight cores. Method
the first map/reduce job distributes the protein interaction network as a format which allows parallel distributed computing to all the worker nodes, the other map/reduce job generates flows for each known protein function and the role of the proteins unidentified are predicted by accumulating all of these generated flows. It has been observed in the experiments we performed that the application requiring high performance computing can be decomposed into worker nodes efficiently and the application can provide better performance as the resources increase.
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Grap, Stephan Michael [Verfasser]. "The functional renormalization group for interacting quantum systems with spin-orbit interaction / Stephan Michael Grap." Aachen : Hochschulbibliothek der Rheinisch-Westfälischen Technischen Hochschule Aachen, 2013. http://d-nb.info/1038602432/34.

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Perera, Roland. "Interactive functional programming." Thesis, University of Birmingham, 2013. http://etheses.bham.ac.uk//id/eprint/4209/.

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We propose a new kind of execution environment where applications can be debugged and re-programmed while they are being used. We call our overall concept interactive programming. We develop some of the key components of interactive programming in the setting of a pure, call-by-value functional language. We illustrate our ideas via a proof-of-concept implementation called lambdaCalc, but leave several important components of the overall vision, including efficient incremental update and scaling to large programs, for future work. Our specific achievements are as follows. First, we show how to reify the execution of a program into a live document which can be interactively decomposed into both sequential steps and parallel slices. We give a novel characterisation of forward and backward dynamic slicing and show that for a fixed computation the two problems describe a Galois connection. Second, we introduce a novel execution indexing scheme which derives execution differences from program differences. Our scheme supports the wholesale reorganisation of a computation via operations such as moves and splices. The programmer is able to see the consequences of edits on the intensional structure of the execution. Where possible, node identity is preserved, allowing an edit to be made whilst an execution is being explored and the changes to be reflected in the user's current view of the execution.
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Radford, Johanne Amble. "Communicating Banking Values Through Interactions- Investigating the communicative functions of interaction attributes within the banking sector." Thesis, Malmö universitet, Fakulteten för kultur och samhälle (KS), 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-21660.

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The present study explores the use of interactions for a communicative purpose, when it comes to communicate banking brand values through a website. By establishing important banking values, trust, sincerity and transparency this study investigates how interaction can be used to communicate those values, through the theory of interaction attributes. Using interaction attributes to communicate emotions as well as brand values has been previously investigated. However, not in the setting of banking. Through designing and exploring interactions this study established some important qualities to consider when designing for banking, with the goal of communicating trust, sincerity and transparency. Attributes consistency, expectedness and apparent are favourable, whilst pliability is found to have a negative effect. In addition to these attributes established by previous work, the findings suggest the importance of a new quality, to design interactions that animate slowly over time, as a way to guide the user through the interaction.
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Vieira, Daniel. "Correções de auto-interação na teoria do funcional da densidade: investigação em modelos de sistemas de muitos corpos." Universidade de São Paulo, 2010. http://www.teses.usp.br/teses/disponiveis/76/76131/tde-23042010-101040/.

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Neste trabalho utilizamos sistemas modelos no desenvolvimento, implementação e análise de funcionais orbitais da densidade, focando, em particular, nas correções de autointeração de Perdew-Zunger (PZSIC) e Lundin-Eriksson (LESIC). Aplicamos as correções de auto-interação ao funcional local (LDA) do modelo de Hubbard e de poços quânticos semicondutores, ambos unidimensionais, no caso estático e dependente do tempo, respectivamente. Para o modelo de Hubbard unidimensional, comparamos a LDA, LDA+PZSIC e LDA+LESIC, identificando o desempenho para energias e densidades do estado fundamental, com e sem impurezas locais, além do gap fundamental de energia. Em adição, averiguamos o desempenho diante de cargas fracionárias, estabelecendo conexões com o erro de delocalização da LDA. Mostramos a possibilidade da correta descrição das freqüências das oscilações de Friedel no modelo de Hubbard, além de investigar como a falha da LDA em reproduzir esse aspecto pode estar relacionada com os erros de auto-interação e delocalização. Investigamos ainda as diferentes possibilidades de implementação autoconsistente de qualquer funcional orbital da densidade, analisando a relação entre funcionais aproximados e suas implementações aproximadas. Nos poços quânticos, sob o enfoque dependente do tempo, analisamos a descontinuidade do potencial de troca e correlação ao variarmos o número de partículas, em dois processos distintos: a ionização eletrônica em um poço simples e dissociação de um poço duplo assimétrico. No último caso, avaliamos os efeitos da descontinuidade no número total de partículas em cada poço, revelando os mecanismos que resgatam a neutralidade elétrica durante processos de dissociação, com a correta carga final inteira.
In this work we use model systems to develop, implement and analyse orbital-dependent density functionals, focusing, specifically, on the self-interaction corrections (SICs) of Perdew and Zunger (PZSIC) and of Lundin and Eriksson (LESIC). These self-interaction corrections are applied to the local-density approximation (LDA) for the one-dimensional Hubbard model and for semiconductor quantum wells, in one-dimensional static and time-dependent situations. For the one-dimensional Hubbard model we compare LDA, LDA+PZSIC and LDA+LESIC, and investigate the performance of these approaches for ground-state energies, densities and energy gaps, with and without impurities in the system. We also consider the case of fractional charges, where a connection to the delocalization error of the LDA can be made. We show that in principle a correct description of the frequences of Friedel oscillations in the Hubbard model can be obtained from DFT, and investigate how the failure of the LDA in reproducing this is related to the selfinteraction and delocalization errors. Moreover, we investigate different procedures for the selfconsistent implementation of any orbital-dependent functional, and analyse the question of the interplay between an approximate functional and its approximate implementation. For quantum wells sytems we analyse, in a time-dependent framework, the discontinuity of the exchange-correlation potential under variation of the particle number in two different processes: the ionization of a simple quantum well and the dissociation of an asymmetric double well. In the latter case, we also consider the effect of changes in the particle number in each subwell, thus revealing the mechanism that restores electric neutrality during dissociation, with correct final charge.
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Books on the topic "Interaction functionals"

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Goedecker, S. A critical assessment of the self-interaction corrected local density functional method and its algorithmic implementation. Ithaca, N.Y: Cornell Theory Center, Cornell University, 1996.

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Hannay, Mike, and A. Machtelt Bolkestein, eds. Functional Grammar and Verbal Interaction. Amsterdam: John Benjamins Publishing Company, 1998. http://dx.doi.org/10.1075/slcs.44.

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Michael, Hannay, and Bolkestein A. Machtelt, eds. Functional grammar and verbal interaction. Amsterdam: J. Benjamin Pub., 1998.

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Maruyama, Yukio, Masatsugu Hori, and Joseph S. Janicki, eds. Cardiac-Vascular Remodeling and Functional Interaction. Tokyo: Springer Japan, 1997. http://dx.doi.org/10.1007/978-4-431-67041-4.

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1941-, Maruyama Yukio, Hori M. 1945-, and Janicki Joseph S, eds. Cardiac-vascular remodeling and functional interaction. Tokyo: Springer, 1997.

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1945-, Hori M., Janicki Joseph S, and Maruyama Yukio 1941-, eds. Cardiac-vascular remodeling and functional interaction. Tokyo: Springer, 1997.

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Mougi, Akihiko, ed. Diversity of Functional Traits and Interactions. Singapore: Springer Singapore, 2020. http://dx.doi.org/10.1007/978-981-15-7953-0.

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William, Hutchens T., Lönnerdal Bo 1938-, and International Symposium on Lactoferrin: Interactions and Biological Functions (2nd : 1995 : Honolulu, Hawaii), eds. Lactoferrin: Interactions and biological functions. Totowa, N.J: Humana Press, 1997.

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K, Messmer, ed. Capillary functions and white cell interaction. Basel: Karger, 1991.

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Nomura, Kosuke. Interacting Boson Model from Energy Density Functionals. Tokyo: Springer Japan, 2013. http://dx.doi.org/10.1007/978-4-431-54234-6.

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Book chapters on the topic "Interaction functionals"

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Cerón-Carrasco, José P., Alberto Requena, and Denis Jacquemin. "Impact of DFT functionals on the predicted magnesium–DNA interaction: an ONIOM study." In Vincenzo Barone, 271–79. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-34462-6_27.

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Grabovsky, Andrey. "Functional Integration." In Introduction to Strong Interactions, 71–98. Boca Raton: CRC Press, 2022. http://dx.doi.org/10.1201/9781003272403-3.

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Dandekar, Thomas, and Kishor Sharma. "Functional RNA Interactions." In Regulatory RNA, 133–63. Berlin, Heidelberg: Springer Berlin Heidelberg, 1998. http://dx.doi.org/10.1007/978-3-642-97993-4_5.

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Dandekar, Thomas. "Functional RNA Interactions." In RNA Motifs and Regulatory Elements, 111–37. Berlin, Heidelberg: Springer Berlin Heidelberg, 2002. http://dx.doi.org/10.1007/978-3-642-56298-3_5.

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Pavelka, Margit, and Jürgen Roth. "Selectin — Ligand-Mediated Cell-Cell Interaction." In Functional Ultrastructure, 174–75. Vienna: Springer Vienna, 2010. http://dx.doi.org/10.1007/978-3-211-99390-3_91.

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Goto, Yoichi. "Intraventricular Interaction." In Cardiac-Vascular Remodeling and Functional Interaction, 105–13. Tokyo: Springer Japan, 1997. http://dx.doi.org/10.1007/978-4-431-67041-4_9.

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Haven, Emmanuel. "Financial Payoff Functions and Potentials." In Quantum Interaction, 189–95. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-15931-7_15.

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Arai, Mary N. "Biological interactions." In A Functional Biology of Scyphozoa, 203–23. Dordrecht: Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-94-009-1497-1_9.

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Carrino, Stefano, Maurizio Caon, Omar Abou Khaled, Rolf Ingold, and Elena Mugellini. "Functional Gestures for Human-Environment Interaction." In Human-Computer Interaction. Interaction Modalities and Techniques, 167–76. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-39330-3_18.

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Nipkow, Tobias. "Automatic Functional Correctness Proofs for Functional Search Trees." In Interactive Theorem Proving, 307–22. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-43144-4_19.

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Conference papers on the topic "Interaction functionals"

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Kaya, Heysem, Oxana Verkholyak, Maxim Markitantov, and Alexey Karpov. "Combining Clustering and Functionals based Acoustic Feature Representations for Classification of Baby Sounds." In ICMI '20: INTERNATIONAL CONFERENCE ON MULTIMODAL INTERACTION. New York, NY, USA: ACM, 2020. http://dx.doi.org/10.1145/3395035.3425182.

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Upadhyay, S. K. "Coulomb Drag Study of Non-Homogeneous Dielectric Medium: Hole-Hole Static Interactions in 2D-GaAs DQW." In Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-1.

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Abstract. The induced (drag) resistivity (ρ_D) is calculated numerically in low temperature, large interlayer separation and weak interactive regime for 2D hole-hole (h-h) static interactions using the RPA method, with the geometry of non-homogeneous dielectric medium. Exchange-correlations (XC) and mutual interaction effects are considered in low/high density regime for analysing the drag resistivity. It is found that the drag resistivity is found inhanced on using the XC effects and increases on increasing the effective mass. In Fermi-Liquid regime, drag resistivity is directly proportional to r2/n3 at low temperature. Temperature (T), density (n), interlayer separation (d) and dielectric constant (ϵ2) dependency of drag resistivity is measured and compared to 2D e-e and e-h coupled-layer systems with and without the effect of non-homogeneous dielectric medium.
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Luu, Thu Huong, Christian Altenhofen, André Stork, and Dieter Fellner. "GraMMaCAD: Interactively Defining Spatially Varying FGMs on BRep CAD Models." In ASME 2022 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/detc2022-89552.

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Abstract Additive manufacturing (AM) has enabled control over heterogeneous materials and structures in ways that were not previously possible, including functionally graded materials (FGM). However, typical computer aided design (CAD) systems — mainly based on boundary representations (B-Rep) — are not built for modeling and representing spatially varying material information, which are the key features for designing FGM parts. While volumetric representations (V-Rep) such as tetrahedral or hexahedral meshes, trivariate splines or subdivision solids can hold the necessary FGM information, they are by default not compatible with existing CAD models. Thus, the capabilities of AM motivate enhancing CAD systems to support volumetric material allocation and distribution. We present an interactive, intuitive and efficient interaction concept based on grading features and transition functions for augmenting CAD models with smooth volumetric material gradients for multi-material fabrication using our system called GraMMaCAD (Graded Multi-Material CAD). This concept has the advantage of being extremely versatile, since the material property functions are left to the arbitrariness of the user, who is free to modify their definition as needed. By providing interactive preview modes, the system allows for efficient exploration of the volumetric gradation of the designed FGM part. We fabricated two functional examples that demonstrate the usability of the system and show the ability to quickly augment models with functionally graded material transitions.
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Sherafati, M., and S. Satpathy. "On the Ruderman-Kittel-Kasuya-Yosida interaction in graphene." In FUNCTIONAL MATERIALS: Proceedings of the International Workshop on Functional Materials (IWFM-2011). AIP, 2012. http://dx.doi.org/10.1063/1.4736868.

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Hurmusiadis, Vassili, Simon Barrick, and Chris Briscoe. "Interactive functional anatomy." In the SIGGRAPH 2003 conference. New York, New York, USA: ACM Press, 2003. http://dx.doi.org/10.1145/965400.965485.

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Poole, Alan, and Anne Poole. "Functional Interactive Tatting." In TEI '16: Tenth International Conference on Tangible, Embedded, and Embodied Interaction. New York, NY, USA: ACM, 2016. http://dx.doi.org/10.1145/2839462.2856529.

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Eremetova, Karina Y. "TRAINING ON THE INTERACTION OF CULTURES." In FUNCTIONAL ASPECTS OF INTERCULTURAL COMMUNICATION. TRANSLATION AND INTERPRETING ISSUES. Peoples' Friendship University of Russia, 2019. http://dx.doi.org/10.22363/2712-7974-2019-6-355-362.

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Foo, Jung Leng, and Eliot Winer. "Interactive Multi-Modal Visualization Environment for Complex System Decision Making." In ASME 2008 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2008. http://dx.doi.org/10.1115/detc2008-49805.

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Decision making in a complex system requires a large amount of data, and real time interaction and visualization tools become effective solutions. Constant improvement in computer graphics technology has encouraged the research of developing better and more efficient ways of interacting and visualizing complex three-dimensional image data. This paper presents a unique software framework for interacting and visualizing complex volume image data in a virtual environment. For efficient user interactions, a wireless gamepad controller is used as the main input device. The buttons and joysticks on the gamepad controller are intuitively mapped to perform different functions depending on the feature mode that the software is currently in. Apart from the general viewer, an extension of the software also reads in standard format patient medical images such as CT/MRI scans. As an effective decision making tool, the software allows the user to apply fast pseudo-coloring and multiple interactive oblique clipping planes for an immersive detailed examination of any 3D model. In the medical imaging extension of this software, it features the ability for the user to select a specific range of tissue densities to render and an endosurgery planning mode that allows a surgeon to place simulated laparoscopic surgical instruments in a virtual model of the patient. The developed software allows for better interaction with complex volume data for use as a decision making and evaluation tool.
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Soria Zurita, Nicolás F., Melissa Anne Tensa, Vincenzo Ferrero, Robert B. Stone, Bryony DuPont, H. Onan Demirel, and Irem Y. Tumer. "An Association Rule Approach for Identifying Physical System-User Interactions and Potential Human Errors Using a Design Repository." In ASME 2019 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/detc2019-98424.

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Abstract During the design process, designers must satisfy customer needs while adequately developing engineering objectives. Among these engineering objectives, human considerations such as user interactions, safety, and comfort are indispensable during the design process. Nevertheless, traditional design engineering methodologies have significant limitations incorporating and understanding physical user interactions during early design phases. For example, Human Factors methods use checklists and guidelines applied to virtual or physical prototypes at later design stages to evaluate the concept. As a result, designers struggle to identify design deficiencies and potential failure modes caused by user-system interactions without relying on the use of detailed and costly prototypes. The Function-Human Error Design Method (FHEDM) is a novel approach to assess physical interactions during the early design stage using a functional basis approach. By applying FHEDM, designers can identify user interactions required to complete the functions of the system and to distinguish failure modes associated with such interactions, by establishing user-system associations using the information of the functional model. In this paper, we explore the use of data mining techniques to develop relationships between component, functions, flows and user interactions. We extract design information about components, functions, flows, and user interactions from a set of distinct coffee makers found in the Design Repository to build associations rules. Later, using a functional model of an electric kettle, we compared the functions, flows, and user interactions associations generated from data mining against the associations created by the authors, using the FHEDM. The results show notable similarities between the associations built from data mining and the FHEDM. We are suggesting that design information from a rich dataset can be used to extract association rules between functions, flows, components, and user interactions. This work will contribute to the design community by automating the identification of user interactions from a functional model.
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Kusiak, Andrew, and Edward Szczerbicki. "A Formal Approach to Design Specifications." In ASME 1990 Design Technical Conferences. American Society of Mechanical Engineers, 1990. http://dx.doi.org/10.1115/detc1990-0038.

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Abstract In this paper a methodology for the specification stage in conceptual design is presented. It allows for problem solving in an active interaction with the designer. An important part of the proposed methodology is the requiremental and functional tree representing the overall logic and structure of the design problem. The specification stage aims at providing requirements and transforming them into functions of the designed object. It occurs at the highest level of abstraction and it must provide enough information to begin the synthesis process where functions are transformed into design components that are further synthesized into the designed object. The proposed approach was motivated by the following problems: specification of requirements, specification of functions, incorporation of logic into functional and requiremental trees, representation of requirements-functions interaction, and optimization in the functional space. The methodology presented is illustrated with examples.
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Reports on the topic "Interaction functionals"

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Zhenkun, Lou. Functional Analysis of Chk2-Kiaa0170 Interaction. Fort Belvoir, VA: Defense Technical Information Center, September 2005. http://dx.doi.org/10.21236/ada449840.

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Lou, Zhenkun. Functional Analysis of Chk2-Kiaa0170 Interaction. Fort Belvoir, VA: Defense Technical Information Center, September 2004. http://dx.doi.org/10.21236/ada429482.

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Ron, Eliora, and Eugene Eugene Nester. Global functional genomics of plant cell transformation by agrobacterium. United States Department of Agriculture, March 2009. http://dx.doi.org/10.32747/2009.7695860.bard.

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The aim of this study was to carry out a global functional genomics analysis of plant cell transformation by Agrobacterium in order to define and characterize the physiology of Agrobacterium in the acidic environment of a wounded plant. We planed to study the proteome and transcriptome of Agrobacterium in response to a change in pH, from 7.2 to 5.5 and identify genes and circuits directly involved in this change. Bacteria-plant interactions involve a large number of global regulatory systems, which are essential for protection against new stressful conditions. The interaction of bacteria with their hosts has been previously studied by genetic-physiological methods. We wanted to make use of the new capabilities to study these interactions on a global scale, using transcription analysis (transcriptomics, microarrays) and proteomics (2D gel electrophoresis and mass spectrometry). The results provided extensive data on the functional genomics under conditions that partially mimic plant infection and – in addition - revealed some surprising and significant data. Thus, we identified the genes whose expression is modulated when Agrobacterium is grown under the acidic conditions found in the rhizosphere (pH 5.5), an essential environmental factor in Agrobacterium – plant interactions essential for induction of the virulence program by plant signal molecules. Among the 45 genes whose expression was significantly elevated, of special interest is the two-component chromosomally encoded system, ChvG/I which is involved in regulating acid inducible genes. A second exciting system under acid and ChvG/Icontrol is a secretion system for proteins, T6SS, encoded by 14 genes which appears to be important for Rhizobium leguminosarum nodule formation and nitrogen fixation and for virulence of Agrobacterium. The proteome analysis revealed that gamma aminobutyric acid (GABA), a metabolite secreted by wounded plants, induces the synthesis of an Agrobacterium lactonase which degrades the quorum sensing signal, N-acyl homoserine lactone (AHL), resulting in attenuation of virulence. In addition, through a transcriptomic analysis of Agrobacterium growing at the pH of the rhizosphere (pH=5.5), we demonstrated that salicylic acid (SA) a well-studied plant signal molecule important in plant defense, attenuates Agrobacterium virulence in two distinct ways - by down regulating the synthesis of the virulence (vir) genes required for the processing and transfer of the T-DNA and by inducing the same lactonase, which in turn degrades the AHL. Thus, GABA and SA with different molecular structures, induce the expression of these same genes. The identification of genes whose expression is modulated by conditions that mimic plant infection, as well as the identification of regulatory molecules that help control the early stages of infection, advance our understanding of this complex bacterial-plant interaction and has immediate potential applications to modify it. We expect that the data generated by our research will be used to develop novel strategies for the control of crown gall disease. Moreover, these results will also provide the basis for future biotechnological approaches that will use genetic manipulations to improve bacterial-plant interactions, leading to more efficient DNA transfer to recalcitrant plants and robust symbiosis. These advances will, in turn, contribute to plant protection by introducing genes for resistance against other bacteria, pests and environmental stress.
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Matthews, Lisa, Guanming Wu, Robin Haw, Timothy Brunson, Nasim Sanati, Solomon Shorser, Deidre Beavers, Patrick Conley, Lincoln Stein, and Peter D'Eustachio. Illuminating Dark Proteins using Reactome Pathways. Reactome, October 2022. http://dx.doi.org/10.3180/poster/20221027matthews.

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Diseases are often the consequence of proteins or protein complexes that are non-functional or that function improperly. An active area of research has focused on the identification of molecules that can interact with defective proteins and restore their function. While 22% percent of human proteins are estimated to be druggable, less than fifteen percent are targeted by FDA-approved drugs, and the vast majority of untargeted proteins are understudied or so-called "dark" proteins. Elucidation of the function of these dark proteins, particularly those in commonly drug-targeted protein families, may offer therapeutic opportunities for many diseases. Reactome is the most comprehensive, open-access pathway knowledgebase covering 2585 pathways and including 14246 reactions, 11088 proteins, 13984 complexes, and 1093 drugs. Placing dark proteins in the context of Reactome pathways provides a framework of reference for these proteins facilitating the generation of hypotheses for experimental biologists to develop targeted experiments, unravel the potential functions of these proteins, and then design drugs to manipulate them. To this end, we have trained a random forest with 106 protein/gene pairwise features collected from multiple resources to predict functional interactions between dark proteins and proteins annotated in Reactome and then developed three scores to measure the interactions between dark proteins and Reactome pathways based on enrichment analysis and fuzzy logic simulations. Literature evidence via manual checking and systematic NLP-based analysis support predicted interacting pathways for dark proteins. To visualize dark proteins in the context of Reactome pathways, we have also developed a new website, idg.reactome.org, by extending the Reactome web application with new features illustrating these proteins together with tissue-specific protein and gene expression levels and drug interactions.
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Zinenko, Olena. THE SPECIFICITY OF INTERACTION OF JOURNALISTS WITH THE PUBLIC IN COVERAGE OF PUBLIC EVENTS ON SOCIAL TOPICS. Ivan Franko National University of Lviv, February 2021. http://dx.doi.org/10.30970/vjo.2021.49.11056.

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Consideration of aspects of the functioning of mass media in society requires a comprehensive approach based on universal media theory. The article presents an attempt to consider public events in terms of a functional approach to understanding the media, proposed by media theorist Dennis McQuayl in the theory of mass communication. Public events are analyzed, on the one hand, as a complex object of journalistic reflection and, on the other hand, as a situational media that examines the relationship of agents of the social and media fields in the space of communication interaction. Taking into account philosophical approaches to the interpretation of the concept of event, considering its semantic spectrum, specificity of use and synonyms in the Ukrainian language, a working definition of the concept of public event is given. Based on case-analysis of public events, In accordance with the functions of the media the functions of public events are outlined. This is is promising for the development of study on typology of public events in the context of mass communication theory. The realization of the functions of public events as situational media is illustrated with such vivid examples of cultural events as «Gogolfest» and «Book Forum in Lviv». The author shows that a functional approach to understanding public events in society and their place in the space of mass communication, opens prospects for studying the role of media in reflecting the phenomena of social reality, clarifying the presence and quality of communication between media producers and media consumers.
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Gafni, Yedidya, and Vitaly Citovsky. Inactivation of SGS3 as Molecular Basis for RNA Silencing Suppression by TYLCV V2. United States Department of Agriculture, November 2013. http://dx.doi.org/10.32747/2013.7593402.bard.

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The Israeli isolate of Tomato yellow leaf curl geminivirus(TYLCV-Is) is a major tomato pathogen, causing extensive crop losses in Israel and in the south-eastern U.S. Yet, little is known about the molecular mechanisms of its interaction with tomato cells. One of the most interesting aspects of such interaction is how the invading virus counteracts the RNA silencing response of the plant. In the former BARD project, we have shown that TYLCV-Is V2 protein is an RNA silencing suppressor, and that this suppression is carried out via the interaction of V2 with the SGS3 component of the plant RNA silencing machinery. This reported project was meant to use our data as a foundation to elucidate the molecular mechanism by which V2 affects the SGS3 activity. While this research is likely to have an important impact on our understanding of basic biology of virus-plant interactions and suppression of plant immunity, it also will have practical implications, helping to conceive novel strategies for crop resistance to TYLCV-Is. Our preliminary data in regard to V2 activities and our present knowledge of the SGS3 function suggest likely mechanisms for the inhibitory effect of V2 on SGS3. We have shown that V2 possess structural and functional hallmarks of an F-box protein, suggesting that it may target SGS3 for proteasomal degradation. SGS3 contains an RNA-binding domain and likely functions to protect the cleavage produces of the primary transcript for subsequent conversion to double-stranded forms; thus, V2 may simply block the RNA binding activity of SGS3. V2 may also employ a combination of these mechanisms. These and other possibilities were tested in this reported project.
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Heiden, Charles K., Robert Sever, Paul Smith, and May Throne. Functional Test Example for Distributed Interactive Simulation. Fort Belvoir, VA: Defense Technical Information Center, February 1996. http://dx.doi.org/10.21236/ada309129.

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Chinnam, Meenalakshmi. Functional Interaction Between Rb and Thoc1 in Mouse Prostate Tumorigenesis. Fort Belvoir, VA: Defense Technical Information Center, May 2010. http://dx.doi.org/10.21236/ada534931.

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Chinnam, Meenalakshmi. Functional Interaction between Rb and Thoc1 in Mouse Prostate Tumorigenesis. Fort Belvoir, VA: Defense Technical Information Center, May 2011. http://dx.doi.org/10.21236/ada548020.

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Komen, Stephen J. van. Functional Interactions of Human Rad54 with the Rad51 Recombinase. Fort Belvoir, VA: Defense Technical Information Center, May 2002. http://dx.doi.org/10.21236/ada407443.

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