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Статті в журналах з теми "Hamiltonian Calculations"
Rai, S., A. Biswas, and B. Mukherjee. "Nuclear structure of low-lying states in 60,62,64,66Zn — A shell model description." International Journal of Modern Physics E 25, no. 11 (November 2016): 1650099. http://dx.doi.org/10.1142/s0218301316500993.
Повний текст джерелаElyseeva, Julia. "The Oscillation Numbers and the Abramov Method of Spectral Counting for Linear Hamiltonian Systems." EPJ Web of Conferences 248 (2021): 01002. http://dx.doi.org/10.1051/epjconf/202124801002.
Повний текст джерелаCoraggio, L., A. Covello, A. Gargano, and N. Itaco. "Core polarization and modern realistic shell-model Hamiltonians." International Journal of Modern Physics E 26, no. 01n02 (January 2017): 1740006. http://dx.doi.org/10.1142/s0218301317400067.
Повний текст джерелаPolley, Kritanjan, and Roger F. Loring. "Two-dimensional vibronic spectroscopy with semiclassical thermofield dynamics." Journal of Chemical Physics 156, no. 12 (March 28, 2022): 124108. http://dx.doi.org/10.1063/5.0083868.
Повний текст джерелаTuszyński, J. A., and J. M. Dixon. "A Quantum Field Theoretical Analysis of Spin-Half Metamagnetism." International Journal of Modern Physics B 11, no. 12 (May 20, 1997): 1445–62. http://dx.doi.org/10.1142/s0217979297000733.
Повний текст джерелаMARTIN, RICHARD M. "Derivation of Models for the Interacting Electrons in Cu-O Superconductors." International Journal of Modern Physics C 02, no. 01 (March 1991): 105–14. http://dx.doi.org/10.1142/s0129183191000111.
Повний текст джерелаSeke, J., A. V. Soldatov, and N. N. Bogolubov. "Novel Technique for Quantum-Mechanical Eigenstate and Eigenvalue Calculations based on Seke's Self-Consistent Projection-Operator Method." Modern Physics Letters B 11, no. 06 (March 10, 1997): 245–58. http://dx.doi.org/10.1142/s0217984997000311.
Повний текст джерелаLi, Yanting, Gediminas Gaigalas, Wenxian Li, Chongyang Chen, and Per Jönsson. "Fine-Tuning of Atomic Energies in Relativistic Multiconfiguration Calculations." Atoms 11, no. 4 (April 8, 2023): 70. http://dx.doi.org/10.3390/atoms11040070.
Повний текст джерелаS. Almeida, Nuno M., Timothé R. L. Melin, Sasha C. North, Bradley K. Welch, and Angela K. Wilson. "Ab initio composite strategies and multireference approaches for lanthanide sulfides and selenides." Journal of Chemical Physics 157, no. 2 (July 14, 2022): 024105. http://dx.doi.org/10.1063/5.0094367.
Повний текст джерелаXia, Rongxin, Teng Bian, and Sabre Kais. "Electronic Structure Calculations and the Ising Hamiltonian." Journal of Physical Chemistry B 122, no. 13 (November 3, 2017): 3384–95. http://dx.doi.org/10.1021/acs.jpcb.7b10371.
Повний текст джерелаДисертації з теми "Hamiltonian Calculations"
Negodaev, Igor. "The calculation of the thermal dependency of the magnetic susceptibility in extended systems with ab initio electronic structure parameters." Doctoral thesis, Universitat Rovira i Virgili, 2011. http://hdl.handle.net/10803/31934.
Повний текст джерелаThe thesis studies the magnetic coupling in systems of different dimensionality, by using multireference methods. The aim of the work is to determine macroscopic properties such as the thermal dependency of magnetic susceptibility, from the calculated magnetic exchange constant J. This microscopic parameter quantifies the magnetic interaction between two magnetic sites and can be extracted from the experimental susceptibility curve in finite systems. However this extraction is not possible in extended magnetic systems such as chains or 2D-layers. The strategy followed consists in calculating J in small clusters and in simulating the extended systems by introducing the calculated J in the Heisenberg Hamiltonian of 8 to 16 site models. From the spectrum, the thermal dependency of the magnetic susceptibility is the calculated. When compared to the experimental one, this curve gives a quantification of the magnetic interactions of the studied materials at the microscopic level. We have studied different types of extended systems such as chains and hexagonal lattices, where the magnetic sites are transition metal ions.
Bielefeld, Susanne. "Calculating scalar mesons from a light cone Hamiltonian in QCD." [S.l. : s.n.], 2000. http://deposit.ddb.de/cgi-bin/dokserv?idn=961521767.
Повний текст джерелаAlbrecht, David. "Simulation par éléments finis à partir de calculs ab-initio du comportement ferroélectrique." Phd thesis, Ecole Centrale Paris, 2010. http://tel.archives-ouvertes.fr/tel-00545426.
Повний текст джерелаAllen, Brent Harvey. "A Hamiltonian light-front approach to the calculation of the Physical Spectrum in Quantum Field Theory /." The Ohio State University, 2000. http://rave.ohiolink.edu/etdc/view?acc_num=osu1488190595941129.
Повний текст джерелаShukla, Shaleen. "Calculation of Nuclear Level Densities Near the Drip Lines." Ohio University / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1209754262.
Повний текст джерелаConte, Riccardo. "A dynamical approach to the calculation of thermal reaction rate constants." Doctoral thesis, Scuola Normale Superiore, 2008. http://hdl.handle.net/11384/85794.
Повний текст джерелаMaurice, Rémi. "Zero-field anisotropic spin hamiltonians in first-Row transition metal complexes : theory, models and applications." Doctoral thesis, Universitat Rovira i Virgili, 2011. http://hdl.handle.net/10803/37363.
Повний текст джерелаBastardis, Roland. "Dérivations et extractions de hamiltoniens modèles pour l'étude de composés à propriétés électroniques remarquables." Toulouse 3, 2007. http://thesesups.ups-tlse.fr/82/.
Повний текст джерелаThe goal of this thesis is to identify the microscopic mechanisms responsible for the macroscopic of molecular and crystalline magnetic compounds. A first part is devoted to the explicitly correlated ab initio methods allowing the study of such compounds. We propose an original method to introduce the dynamical polarization effects though a series of constrained SCF calculations. Then we show how the embedded cluster method combined with the effective Hamiltonian theory makes possible the rational and controlled extraction of model Hamiltonians likely to reproduce the macroscopic properties. We are interested in the isotropic deviations from Heisenberg behavior and propose a new Hamiltonian including a three-body operator susceptible to change the collective properties. The following chapter compares the capabilities of the double exchange, Heisenberg and Hubbard Hamiltonians to reproduce the chemical physics of doped-manganites. It is shown that the physics of a Hubbard Hamiltonian is contained in the simpler double exchange and Heisenberg Hamiltonians, in the case of a Mn dimer bridged by an oxygen, and that the energy expressions obtained from these last two Hamiltonians are analytically identical. Finally, we show that only a double exchange Hamiltonian, taking account both non-Hund state effects and a Heisenberg antiferromagnetic contribution, accurately describes the microscopic physics of these compounds
Storey, Marianne. "Effect of disorder on the melting phase transition." Thesis, Imperial College London, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.322000.
Повний текст джерелаKauch, Małgorzata. "Calculations of nuclear spin-spin coupling constants in metaloorganic compounds." Doctoral thesis, 2017. https://depotuw.ceon.pl/handle/item/2173.
Повний текст джерелаW prezentowanej rozprawie doktorskiej szczegółowo omówiłam wpływ czynników strukturalnych na stałe sprzężenia spinowo-spinowego w kilku rodzajach związków metaloorganicznych. W rozdziale 8. pracy zbadany został wpływ różnych czynników na stałe sprzężenia spinowo-spinowego 1J(15N;109Ag), 2J(15N;15N) oraz J(109Ag;109Ag) występujących w sztucznej helisie DNA interkalowanej kationami srebra. Rozdział 9. zawiera opracowanie wyników modelowania stałych sprzężenia 1J(113Cd;1H) oraz 1J(199Hg;1H) w cząsteczce rubredoksyny podstawionej rtęcią lub kadmem. Następnie opisano wpływ czynników metodologicznych oraz strukturalnych na stałe sprzężenia spinowo-spinowego J(1H;2D) oraz J(1H;31P) w kompleksach irydu IrH3X(PY3)2, gdzie X= Cl2, CO, NO; Y= H, CH3, iPr, -Ph (rozdział 10.). Kolejna część pracy jest rozszerzeniem badań z poprzedniego rozdziału na kompleksy metali innych niż iryd (osm, rod, ruten). Opis przeprowadzonych badań poprzedzony został opisem motywacji do podjęcia tej tematyki badawczej oraz zwięzłym wstępem teoretycznym. Następnie przedstawione zostały wyniki badań własnych, podsumowanie, lista publikacji własnych autora oraz spis bibliografii.
Книги з теми "Hamiltonian Calculations"
Baker, John David. Model Hamiltonians for the calculation of atomic and molecular spectroscopy. 1991.
Знайти повний текст джерелаVurgaftman, Igor, Matthew P. Lumb, and Jerry R. Meyer. Bands and Photons in III-V Semiconductor Quantum Structures. Oxford University Press, 2020. http://dx.doi.org/10.1093/oso/9780198767275.001.0001.
Повний текст джерелаStafström, Sven, and Mikael Unge. Disorder-induced electron localization in molecular-based materials. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533046.013.25.
Повний текст джерелаCarlip, Steven. General Relativity. Oxford University Press, 2019. http://dx.doi.org/10.1093/oso/9780198822158.001.0001.
Повний текст джерелаЧастини книг з теми "Hamiltonian Calculations"
Wang, Cai-Zhuang, Wen-Cai Lu, Yong-Xin Yao, Ju Li, Sidney Yip, and Kai-Ming Ho. "Tight-binding Hamiltonian from first-principles calculations." In Lecture Notes in Computational Science and Engineering, 81–95. Dordrecht: Springer Netherlands, 2008. http://dx.doi.org/10.1007/978-1-4020-9741-6_8.
Повний текст джерелаGunnarsson, O. "Model Hamiltonian Parameters from Ab Initio Calculations." In Springer Proceedings in Physics, 95–104. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-77154-5_18.
Повний текст джерелаDyall, Kenneth G. "Matrix Approximations to the Dirac Hamiltonian for Molecular Calculations." In Theoretical Chemistry and Physics of Heavy and Superheavy Elements, 325–47. Dordrecht: Springer Netherlands, 2003. http://dx.doi.org/10.1007/978-94-017-0105-1_8.
Повний текст джерелаNeese, Frank. "Spin-Hamiltonian Parameters from First Principle Calculations: Theory and Application." In High Resolution EPR, 175–229. New York, NY: Springer New York, 2009. http://dx.doi.org/10.1007/978-0-387-84856-3_5.
Повний текст джерелаNieuwpoort, W. C., P. J. C. Aerts, and L. Visscher. "Molecular Electronic Structure Calculations Based on the Dirac-Coulomb-(Breit) Hamiltonian." In Relativistic and Electron Correlation Effects in Molecules and Solids, 59–70. Boston, MA: Springer US, 1994. http://dx.doi.org/10.1007/978-1-4899-1340-1_3.
Повний текст джерелаEscande, Dominique F., Holger Kantz, Roberto Livi, and Stefano Ruffo. "Gibbsian Check of the Validity of Gibbsian Calculation through Dynamical Observables." In Hamiltonian Mechanics, 131–38. Boston, MA: Springer US, 1994. http://dx.doi.org/10.1007/978-1-4899-0964-0_10.
Повний текст джерелаHubac, Ivan, Michal Svrcek, E. Alan Salter, Carlos Sosa, and Rodney J. Bartlett. "Partitioning of the Vibrational-Electronic Hamiltonian. Ab Initio Correlated Calculations of the First Vibronic Transitions for Some Simple Molecules." In Lecture Notes in Chemistry, 95–124. Berlin, Heidelberg: Springer Berlin Heidelberg, 1989. http://dx.doi.org/10.1007/978-3-642-93424-7_5.
Повний текст джерелаPauncz, Ruben. "Calculation of the Hamiltonian Matrix." In The Construction of Spin Eigenfunctions, 109–37. Boston, MA: Springer US, 2000. http://dx.doi.org/10.1007/978-1-4615-4291-9_9.
Повний текст джерелаLushington, Gerald H. "The Effective Spin Hamiltonian Concept from a Quantum Chemical Perspective." In Calculation of NMR and EPR Parameters, 33–41. Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA, 2004. http://dx.doi.org/10.1002/3527601678.ch4.
Повний текст джерелаKotliar, G., and S. Y. Savrasov. "Model Hamiltonians and First Principles Electronic Structure Calculations." In New Theoretical Approaches to Strongly Correlated Systems, 259–301. Dordrecht: Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-010-0838-9_10.
Повний текст джерелаТези доповідей конференцій з теми "Hamiltonian Calculations"
Waghmare, U. V., K. M. Rabe, Henry Krakauer, Rici Yu, and Cheng-Zhang Wang. "Effective Hamiltonian for the ferroelectric phase transitions in KNbO[sub 3]." In The 5th Williamsburg workshop on first-principles calculations for ferroelectrics. AIP, 1998. http://dx.doi.org/10.1063/1.56289.
Повний текст джерелаMCDONALD, REUBEN, and NIELS R. WALET. "COUPLED CLUSTER CALCULATIONS OF THE SCHWINGER MODEL IN HAMILTONIAN LATTICE GAUGE THEORY." In Proceedings of the 11th International Conference. WORLD SCIENTIFIC, 2002. http://dx.doi.org/10.1142/9789812777843_0046.
Повний текст джерелаZhu, Lin, Jeong Ho You, and Jinghong Chen. "First-Principles Calculations and Molecular Dynamics Simulations on Effect of Hydrogen Impurity in Lead Titanate Films." In ASME 2016 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/imece2016-67796.
Повний текст джерелаAtieh, Z., A. R. Allouche, M. Frecon, D. Graveron-Demilly, and F. Fauvelle. "Ab initio calculations of NMR spin-Hamiltonian parameters for the polyamines of prostate tissue." In 2008 IEEE International Workshop on Imaging Systems and Techniques (IST). IEEE, 2008. http://dx.doi.org/10.1109/ist.2008.4659990.
Повний текст джерелаStojanović, S. D., M. V. Pavkov-Hrvojević, and M. J. Škrinjar. "The Equivalence of Transfer Matrix Method and Boson Hamiltonian Approach Calculations in Ferromagnetic Superlattices." In SIXTH INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION. AIP, 2007. http://dx.doi.org/10.1063/1.2733399.
Повний текст джерелаVary, J. P., P. Maris, A. M. Shirokov, H. Honkanen, J. Li, S. J. Brodsky, A. Harindranath, G. F. de Teramond, and Marvin L. Marshak. "Ab initio no core calculations of light nuclei and preludes to Hamiltonian quantum field theory." In 10TH CONFERENCE ON THE INTERSECTIONS OF PARTICLE AND NUCLEAR PHYSICS. AIP, 2009. http://dx.doi.org/10.1063/1.3293958.
Повний текст джерелаAtieh, Zeinab, Abdul-Rahman Allouche, Monique Aubert-Frecon, and Danielle Graveron-Demilly. "Solvent, isomers and vibrational effects in DFT calculations for the NMR spin-Hamiltonian parameters of alanine." In 2010 IEEE International Conference on Imaging Systems and Techniques (IST). IEEE, 2010. http://dx.doi.org/10.1109/ist.2010.5548473.
Повний текст джерелаCuccoli, A. "From quantum to classical calculations via an effective Hamiltonian approach: The easy-axis two-dimensional quantum antiferromagnet." In Modeling complex systems. AIP, 2001. http://dx.doi.org/10.1063/1.1386864.
Повний текст джерелаSilbey, Robert J., Andreas Heuer, and David Dab. "Low Temperature Properties of Glasses: Two Level Systems, Soft Modes, and Spectral Diffusion." In Spectral Hole-Burning and Related Spectroscopies: Science and Applications. Washington, D.C.: Optica Publishing Group, 1994. http://dx.doi.org/10.1364/shbs.1994.the1.
Повний текст джерелаChiba, S., H. Koura, T. Maruyama, S. Kunieda, and E. Sh Soukhovitskiĩ. "Systematics and uncertainties of Hamiltonian parameters of soft-rotator model for actinides and their implications for nuclear data calculations." In International Conference on Nuclear Data for Science and Technology. Les Ulis, France: EDP Sciences, 2007. http://dx.doi.org/10.1051/ndata:07728.
Повний текст джерелаЗвіти організацій з теми "Hamiltonian Calculations"
Zako, R. L. Hamiltonian lattice field theory: Computer calculations using variational methods. Office of Scientific and Technical Information (OSTI), December 1991. http://dx.doi.org/10.2172/5736347.
Повний текст джерелаZako, Robert L. Hamiltonian lattice field theory: Computer calculations using variational methods. Office of Scientific and Technical Information (OSTI), December 1991. http://dx.doi.org/10.2172/10132471.
Повний текст джерела