Letteratura scientifica selezionata sul tema "Méthode d'approximation Hartree-Fock"
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Tesi sul tema "Méthode d'approximation Hartree-Fock"
Trabelsi, Saber. "Analysis of the MultiConfiguration Time-Dependent Hartree-Fock equations". Paris 7, 2008. http://www.theses.fr/2008PA077117.
Testo completoThe multiconfiguration methods are a natural improvement of well-known simple models for approximating the linear N body Schro}dinger equation for atomic and molecular Systems with binary - Coulomb in realistic situations- interactions, like the Hartree and the Hartree-Fock equation. Models like MCTDHF are intensively used for numerical simulations in quantum physics/chemistry. However, from the mathematical point of view, these equations are yet poorly understood. The present contribution gives the first rigorous mathematical foundation of the MCTHDH(F) equations with the singular Coulomb interaction. In particular, we formulate in a convenient way for the mathematical analysis the associated initial value problem for which we obtain well-posedness results depending on the regularity of the initial data, with and without an assumption on the rank of the associated density matrix. Also, numerical simulations of a toy model are presented with particular interest to the so called « correlation » which is one of the main motivations and advantage of the multiconfiguration methods compared to Hartree-Fock models
Léon, Jean-François. "Etudes mathématiques de quelques problèmes issus de la physique". Paris 9, 1990. https://portail.bu.dauphine.fr/fileviewer/index.php?doc=1990PA090013.
Testo completoArvanitis, Christos. "Méthodes variationnelles-perturbatives en théorie quantique des champs". Aix-Marseille 2, 1993. http://www.theses.fr/1993AIX22059.
Testo completoOuazzani-Taïb, Taïeb. "Calcul ab initio Hartree-Fock de la structure géométrique et électronique de surfaces de chalcogénures alcalins et alcalino-terreux : approche de l'hydrogène atomique". Pau, 1995. http://www.theses.fr/1995PAUU3001.
Testo completoCatto, Isabelle. "Analyse mathématique de modèles de la mécanique quantique". Paris 9, 1992. https://portail.bu.dauphine.fr/fileviewer/index.php?doc=1992PA090005.
Testo completoRoques, Jérôme. "Modélisation de l'adsorption dissociative de molécules diatomiques sur des agrégats métalliques par la méthode de la fonctionnelle de la densité : comparaison avec les propriétés du massif et de la surface infinie". Toulouse, INPT, 2001. http://www.theses.fr/2001INPT010G.
Testo completoSmet, Françoise. "Sur la théorie des équations de Hartree-Fock dépendant du temps : application au calcul des tenseurs d'hyperpolarisabilité". Lille 1, 1987. http://www.theses.fr/1987LIL10222.
Testo completoAzavant, Patrick. "Approche théorique de la diffusion élastique et inélastique dans les solides par la méthode AB initio Hartree-Fock : application aux sulfures de lithium et de sodium". Pau, 1994. http://www.theses.fr/1994PAUU3005.
Testo completoChatillon, Audrey. "Spectroscopie des transfermiums impairs en proton : la structure du noyau de 251 Md". Lyon 1, 2005. http://www.theses.fr/2005LYO10179.
Testo completoBoutassetta, Nabil. "Prédiction théorique de la structure électronique de molécules diatomiques comportant un alcalino-terreux". Lyon 1, 1997. http://www.theses.fr/1997LYO10127.
Testo completoLibri sul tema "Méthode d'approximation Hartree-Fock"
Tomas, Brage, e Jönsson Per, a cura di. Computational atomic structure: An MCHF approach. Bristol, UK: Institute of Physics Publ., 1997.
Cerca il testo completoFroese-Fischer, Charlotte. Computational Atomic Structure: An MCHF Approach. CRC Press LLC, 2019.
Cerca il testo completoFroese-Fischer, Charlotte. Computational Atomic Structure: An MCHF Approach. CRC Press LLC, 2019.
Cerca il testo completoBrage, Tomas, Per Jonsson e Charlotte Froese-Fischer. Computational Atomic Structure: An MCHF Approach. CRC Press LLC, 2021.
Cerca il testo completoBrage, Tomas, Per Jonsson e Charlotte Froese-Fischer. Computational Atomic Structure: An MCHF Approach. CRC Press LLC, 2021.
Cerca il testo completoBrage, Tomas, Per Jonsson e Charlotte Froese-Fischer. Computational Atomic Structure: An MCHF Approach. CRC Press LLC, 2021.
Cerca il testo completoComputational Atomic Structure. Taylor & Francis Group, 2019.
Cerca il testo completoBrage, Tomas, Per Jonsson e Charlotte Froese-Fischer. Computational Atomic Structure: An MCHF Approach. CRC Press LLC, 2021.
Cerca il testo completoTrsic, Milan, e Alberico da Silva. Electronic, Atomic and Molecular Calculations: Applying the Generator Coordinate Method. Elsevier Science & Technology Books, 2011.
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