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Méthodes mathématiques en chimie quantique. Une introduction

Eric Cances Claude Le Bris Yvon Maday

$198.95   $159.49

Paperback

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French
Springer-Verlag Berlin and Heidelberg GmbH & Co. K
09 February 2006
Ce cours est une introduction à la modélisation mathématique et à l'analyse numérique pour la chimie moléculaire quantique, un champ peu connu des mathématiciens et pourtant riche en sujets d'investigation. Le point de vue choisi est celui du mathématicien appliqué. Le cours est construit de manière auto-consistante.

By:   , ,
Imprint:   Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Country of Publication:   Germany
Edition:   2006 ed.
Volume:   53
Dimensions:   Height: 235mm,  Width: 155mm,  Spine: 22mm
Weight:   1.340kg
ISBN:   9783540309963
ISBN 10:   3540309969
Series:   Mathématiques et Applications
Pages:   412
Publication Date:  
Audience:   Professional and scholarly ,  Undergraduate
Format:   Paperback
Publisher's Status:   Active
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.

Reviews for Méthodes mathématiques en chimie quantique. Une introduction

From the reviews: This book presents the mathematical foundations of several models of quantum chemistry. It is intended for graduate students in mathematics (and possibly also for scientists from physics or chemistry interested in understanding the formal underpinnings of their models), and introduces techniques and methods from several mathematical fields, in particular variational techniques, nonlinear analysis, spectral theory and partial differential equations theory. (Gabriel Stoltz, Mathematical Reviews, Issue 2009 d) The reviewing book presents the mathematical foundations of quantum chemistry. To summarize, this book is actually a rather broad reflection of the current state of mathematical art of quantum chemistry that deserves to be studied by the readers interested in the mathematical grounds of quantum chemistry and their direct applications in the research. (Eugene Kryachko, Zentralblatt MATH, Vol. 1167, 2009) From the reviews: This book presents the mathematical foundations of several models of quantum chemistry. It is intended for graduate students in mathematics (and possibly also for scientists from physics or chemistry interested in understanding the formal underpinnings of their models), and introduces techniques and methods from several mathematical fields, in particular variational techniques, nonlinear analysis, spectral theory and partial differential equations theory. (Gabriel Stoltz, Mathematical Reviews, Issue 2009 d) The reviewing book ... presents the mathematical foundations of quantum chemistry. ... To summarize, this book is actually a rather broad reflection of the current state of mathematical art of quantum chemistry that deserves to be studied by the readers interested in the mathematical grounds of quantum chemistry and their direct applications in the research. (Eugene Kryachko, Zentralblatt MATH, Vol. 1167, 2009) From the reviews: This book presents the mathematical foundations of several models of quantum chemistry. It is intended for graduate students in mathematics (and possibly also for scientists from physics or chemistry interested in understanding the formal underpinnings of their models), and introduces techniques and methods from several mathematical fields, in particular variational techniques, nonlinear analysis, spectral theory and partial differential equations theory. (Gabriel Stoltz, Mathematical Reviews, Issue 2009 d) The reviewing book presents the mathematical foundations of quantum chemistry. To summarize, this book is actually a rather broad reflection of the current state of mathematical art of quantum chemistry that deserves to be studied by the readers interested in the mathematical grounds of quantum chemistry and their direct applications in the research. (Eugene Kryachko, Zentralblatt MATH, Vol. 1167, 2009) From the reviews: This book presents the mathematical foundations of several models of quantum chemistry. It is intended for graduate students in mathematics (and possibly also for scientists from physics or chemistry interested in understanding the formal underpinnings of their models), and introduces techniques and methods from several mathematical fields, in particular variational techniques, nonlinear analysis, spectral theory and partial differential equations theory. (Gabriel Stoltz, Mathematical Reviews, Issue 2009 d) The reviewing book presents the mathematical foundations of quantum chemistry. To summarize, this book is actually a rather broad reflection of the current state of mathematical art of quantum chemistry that deserves to be studied by the readers interested in the mathematical grounds of quantum chemistry and their direct applications in the research. (Eugene Kryachko, Zentralblatt MATH, Vol. 1167, 2009)


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