Methodes Mathematiques En Chimie Quantique - Bookswagon UAE
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Methodes Mathematiques En Chimie Quantique: Une Introduction(53 Mathimatiques Et Applications)

Methodes Mathematiques En Chimie Quantique: Une Introduction(53 Mathimatiques Et Applications)


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About the Book

Ce cours est une introduction la modilisation mathimatique et l'analyse numirique pour la chimie moliculaire quantique, un champ peu connu des mathimaticiens et pourtant riche en sujets d'investigation. Le point de vue choisi est celui du mathimaticien appliqui. Le cours est construit de manihre auto-consistante. Seules des notions de base en analyse fonctionnelle sont requises pour l'aborder. Les outils mathimatiques plus ilaboris sont introduits progressivement et les connaissances nicessaires en physique et en thiorie spectrale sont regroupies dans des annexes. On prisente d'abord les modhles les plus utilisis en pratique. Puis, on analyse ces modhles d'un point de vue mathimatique (questions d'existence de solutions, d'uniciti, ...). On introduit ensuite les diffirentes stratigies numiriques employies pour la risolution pratique, et on fournit, quand ceci est possible, des iliments d'analyse numirique de ces mithodes. Les liens existants entre les modhles de la chimie moliculaire et des sujets connexes sont aussi exploris: modilisation de la phase liquide, physique de l'itat cristallin, biologie, simulation des matiriaux, ... Le cours peut aussi intiresser le chimiste ou le physicien curieux de comprendre les techniques mathimatiques dont relhvent les modhles qu'il utilise, et de dicouvrir comment de telles techniques peuvent amiliorer significativement l'efficaciti et la qualiti des simulations numiriques. The book is an introduction to the mathematical modelling and the numerical analysis for computational quantum chemistry. The text is self-consistent: no particular familiarity with the subject nor the mathematical tools is required. Only a basic training infunctional analysis is necessary. The models are introduced and discussed. They are analyzed mathematically. The numerical techniques are presented and, when possible, also analyzed. Topics closely related to molecular simulation are also addressed, such as solid state physics, liquid state physics, biology, and materials science. The book canalso be useful for students and researchers of those fields, curious about the mathematical techniques and the numerical strategies.


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Product Details
  • ISBN-13: 9783540376613
  • Publisher: Springer Verlag Berlin Heidelberg
  • Publisher Imprint: Springer Verlag Berlin Heidelberg
  • Language: English
  • Series Title: 53 Mathimatiques Et Applications
  • ISBN-10: 3540376615
  • Publisher Date: 01 Jan 2006
  • Binding: Digital (delivered electronically)
  • No of Pages: 418
  • Sub Title: Une Introduction


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Methodes Mathematiques En Chimie Quantique: Une Introduction(53 Mathimatiques Et Applications)
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