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Methodes mathematiques en chimie quantique. Une introduction (French, Paperback, 2006 ed.) Loot Price: R2,433
Discovery Miles 24 330
Methodes mathematiques en chimie quantique. Une introduction (French, Paperback, 2006 ed.): Eric Cances, Claude Le Bris, Yvon...

Methodes mathematiques en chimie quantique. Une introduction (French, Paperback, 2006 ed.)

Eric Cances, Claude Le Bris, Yvon Maday

Series: Mathematiques et Applications, 53

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Loot Price R2,433 Discovery Miles 24 330 | Repayment Terms: R228 pm x 12*

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Ce cours est une introduction A la modA(c)lisation mathA(c)matique et A l'analyse numA(c)rique pour la chimie molA(c)culaire quantique, un champ peu connu des mathA(c)maticiens et pourtant riche en sujets d'investigation. Le point de vue choisi est celui du mathA(c)maticien appliquA(c). Le cours est construit de maniA]re auto-consistante. Seules des notions de base en analyse fonctionnelle sont requises pour l'aborder. Les outils mathA(c)matiques plus A(c)laborA(c)s sont introduits progressivement et les connaissances nA(c)cessaires en physique et en thA(c)orie spectrale sont regroupA(c)es dans des annexes. On prA(c)sente d'abord les modA]les les plus utilisA(c)s en pratique. Puis, on analyse ces modA]les d'un point de vue mathA(c)matique (questions d'existence de solutions, d'unicitA(c), ...). On introduit ensuite les diffA(c)rentes stratA(c)gies numA(c)riques employA(c)es pour la rA(c)solution pratique, et on fournit, quand ceci est possible, des A(c)lA(c)ments d'analyse numA(c)rique de ces mA(c)thodes. Les liens existants entre les modA]les de la chimie molA(c)culaire et des sujets connexes sont aussi explorA(c)s: modA(c)lisation de la phase liquide, physique de l'A(c)tat cristallin, biologie, simulation des matA(c)riaux, ... Le cours peut aussi intA(c)resser le chimiste ou le physicien curieux de comprendre les techniques mathA(c)matiques dont relA]vent les modA]les qu'il utilise, et de dA(c)couvrir comment de telles techniques peuvent amA(c)liorer significativement l'efficacitA(c) et la qualitA(c) des simulations numA(c)riques.


The book is an introduction to the mathematical modelling and the numerical analysis for computational quantum chemistry. The text isself-consistent: no particular familiarity with the subject nor the mathematical tools is required. Only a basic training in functional 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 can
also be useful for students and researchers of those fields, curious about the mathematical techniques and the numerical strategies.

General

Imprint: Springer-Verlag
Country of origin: Germany
Series: Mathematiques et Applications, 53
Release date: February 2006
First published: 2006
Authors: Eric Cances • Claude Le Bris • Yvon Maday
Dimensions: 235 x 155 x 22mm (L x W x T)
Format: Paperback
Pages: 412
Edition: 2006 ed.
ISBN-13: 978-3-540-30996-3
Languages: French
Categories: Books > Science & Mathematics > Mathematics > Numerical analysis
Books > Science & Mathematics > Mathematics > Calculus & mathematical analysis > Differential equations
Books > Science & Mathematics > Mathematics > Calculus & mathematical analysis > Calculus of variations
Books > Science & Mathematics > Physics > Classical mechanics > General
Books > Science & Mathematics > Physics > Quantum physics (quantum mechanics) > General
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LSN: 3-540-30996-9
Barcode: 9783540309963

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