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Статті в журналах з теми "Interaction functionals"
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.
Повний текст джерелаStein, 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.
Повний текст джерелаVRETENAR, 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.
Повний текст джерелаGedeon, 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.
Повний текст джерелаNachtigallová, 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.
Повний текст джерелаKendall, 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.
Повний текст джерелаKendall, 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.
Повний текст джерелаSavin, 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.
Повний текст джерелаOntaneda, 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.
Повний текст джерелаALMBLADH, C. O., U. VON BARTH та R. VAN LEEUWEN. "VARIATIONAL TOTAL ENERGIES FROM Φ- AND Ψ- DERIVABLE THEORIES". International Journal of Modern Physics B 13, № 05n06 (10 березня 1999): 535–41. http://dx.doi.org/10.1142/s0217979299000436.
Повний текст джерелаДисертації з теми "Interaction functionals"
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.
Повний текст джерелаBerendsen, 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.
Повний текст джерелаDeininger, 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.
Повний текст джерелаCaufield, J. Harry. "Interactomics-Based Functional Analysis: Using Interaction Conservation To Probe Bacterial Protein Functions." VCU Scholars Compass, 2016. http://scholarscompass.vcu.edu/etd/4580.
Повний текст джерелаBento, 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.
Повний текст джерелаCoordenação de Aperfeiçoamento de Pessoal de Nível Superior
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.
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.
Повний текст джерелаthe 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.
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.
Повний текст джерелаPerera, Roland. "Interactive functional programming." Thesis, University of Birmingham, 2013. http://etheses.bham.ac.uk//id/eprint/4209/.
Повний текст джерелаRadford, 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.
Повний текст джерелаVieira, 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/.
Повний текст джерелаIn 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.
Книги з теми "Interaction functionals"
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.
Знайти повний текст джерелаHannay, 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.
Повний текст джерелаMichael, Hannay, and Bolkestein A. Machtelt, eds. Functional grammar and verbal interaction. Amsterdam: J. Benjamin Pub., 1998.
Знайти повний текст джерелаMaruyama, 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.
Повний текст джерела1941-, Maruyama Yukio, Hori M. 1945-, and Janicki Joseph S, eds. Cardiac-vascular remodeling and functional interaction. Tokyo: Springer, 1997.
Знайти повний текст джерела1945-, Hori M., Janicki Joseph S, and Maruyama Yukio 1941-, eds. Cardiac-vascular remodeling and functional interaction. Tokyo: Springer, 1997.
Знайти повний текст джерелаMougi, Akihiko, ed. Diversity of Functional Traits and Interactions. Singapore: Springer Singapore, 2020. http://dx.doi.org/10.1007/978-981-15-7953-0.
Повний текст джерелаWilliam, 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.
Знайти повний текст джерелаBodensee Symposium on Microcirculation (10th 1990 Bad Schachen, Germany). Capillary functions and white cell interaction. Edited by Messmer K. Basel: Karger, 1991.
Знайти повний текст джерелаNomura, Kosuke. Interacting Boson Model from Energy Density Functionals. Tokyo: Springer Japan, 2013. http://dx.doi.org/10.1007/978-4-431-54234-6.
Повний текст джерелаЧастини книг з теми "Interaction functionals"
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.
Повний текст джерелаGrabovsky, Andrey. "Functional Integration." In Introduction to Strong Interactions, 71–98. Boca Raton: CRC Press, 2022. http://dx.doi.org/10.1201/9781003272403-3.
Повний текст джерелаDandekar, 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.
Повний текст джерелаDandekar, 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.
Повний текст джерелаPavelka, 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.
Повний текст джерелаGoto, 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.
Повний текст джерелаHaven, 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.
Повний текст джерелаArai, 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.
Повний текст джерелаCarrino, 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.
Повний текст джерелаNipkow, 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.
Повний текст джерелаТези доповідей конференцій з теми "Interaction functionals"
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.
Повний текст джерелаUpadhyay, 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.
Повний текст джерелаLuu, 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.
Повний текст джерелаSherafati, 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.
Повний текст джерелаHurmusiadis, 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.
Повний текст джерелаPoole, 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.
Повний текст джерелаEremetova, 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.
Повний текст джерелаFoo, 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.
Повний текст джерелаSoria 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.
Повний текст джерелаKusiak, 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.
Повний текст джерелаЗвіти організацій з теми "Interaction functionals"
Zhenkun, Lou. Functional Analysis of Chk2-Kiaa0170 Interaction. Fort Belvoir, VA: Defense Technical Information Center, September 2005. http://dx.doi.org/10.21236/ada449840.
Повний текст джерелаLou, Zhenkun. Functional Analysis of Chk2-Kiaa0170 Interaction. Fort Belvoir, VA: Defense Technical Information Center, September 2004. http://dx.doi.org/10.21236/ada429482.
Повний текст джерелаRon, 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.
Повний текст джерелаMatthews, 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.
Повний текст джерелаZinenko, 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.
Повний текст джерелаGafni, 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.
Повний текст джерелаHeiden, 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.
Повний текст джерелаChinnam, 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.
Повний текст джерелаChinnam, 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.
Повний текст джерелаKomen, 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.
Повний текст джерела