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Méthodes mathématiques en chim...
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Méthodes mathématiques en chimie quantique. Une introduction by Eric Cances, Claude Le Bris, Yvon Maday.
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Bibliographic Details
Main Authors:
Cances, Eric
(Author)
,
Le Bris, Claude
(Author)
,
Maday, Yvon
(Author)
Corporate Author:
SpringerLink (Online service)
Format:
eBook
Language:
French
Published:
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2006.
Edition:
1st ed. 2006.
Series:
Mathématiques et Applications,
53
Springer eBook Collection.
Subjects:
Partial differential equations.
Numerical analysis.
Calculus of variations.
Quantum physics.
Quantum computers.
Spintronics.
Mechanics.
Electronic resources (E-books)
Online Access:
Click to view e-book
Holy Cross Note:
Loaded electronically.
Electronic access restricted to members of the Holy Cross Community.
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Description
Table of Contents
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Table of Contents:
Présentation succincte des modèles
Un problème modèle sur un domaine borné
Le même problème sur l’espace tout entier
Un cas difficile : fonctionnelle d’énergie non convexe sur l’espace entier
Le modèle de Hartree-Fock
Simulation numérique des modèles
Choix des bases
Convergence des algorithmes SCF
Modèles pour les phases condensées
Un cas périodique
Ouvertures.
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