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Density Functional Theory: Modeling, Mathematical Analysis, Computational Methods, and Applications
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Mà thodes Mathà matiques En Chimie Quantique. Une Introduction/ Mathematical Methods in Quantum Chemistry. an Introduction -Language: French
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Condition: Used. pp. 436 34 Illus.
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Méthodes mathématiques en chimie quantique. Une introduction (Mathématiques et Applications, 53) (French Edition)
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Méthodes mathématiques en chimie quantique. Une introduction
Published by Springer Berlin Heidelberg, 2006
ISBN 10: 3540309969 ISBN 13: 9783540309963
Language: French
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Méthodes mathématiques en chimie quantique. Une introduction
Published by Springer Berlin Heidelberg, Springer Berlin Heidelberg, 2006
ISBN 10: 3540309969 ISBN 13: 9783540309963
Language: French
£ 71.63
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Add to basketTaschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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. Seules des notions de base en analyse fonctionnelle sont requises pour l'aborder. Les outils mathématiques plus élaborés sont introduits progressivement et les connaissances nécessaires en physique et en théorie spectrale sont regroupées dans des annexes. On présente d'abord les modèles les plus utilisés en pratique. Puis, on analyse ces modèles d'un point de vue mathématique (questions d'existence de solutions, d'unicité, .). On introduit ensuite les différentes stratégies numériques employées pour la résolution pratique, et on fournit, quand ceci est possible, des éléments d'analyse numérique de ces méthodes. Les liens existants entre les modèles de la chimie moléculaire et des sujets connexes sont aussi explorés : modélisation de la phase liquide, physique de l'état cristallin, biologie, simulation des matériaux, . Le cours peut aussi intéresser le chimiste ou le physicien curieux de comprendre les techniques mathématiques dont relèvent les modèles qu'il utilise, et de découvrir comment de telles techniques peuvent améliorer significativement l'efficacité et la qualité des simulations numériques.
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Density Functional Theory: Modeling, Mathematical Analysis, Computational Methods, and Applications (Mathematics and Molecular Modeling)
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Density Functional Theory : Modeling, Mathematical Analysis, Computational Methods, and Applications
Published by Springer International Publishing, Springer Nature Switzerland, 2024
ISBN 10: 303122342X ISBN 13: 9783031223426
Language: English
£ 152.82
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Add to basketTaschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Quantum mechanics describes a system of N interacting particles in the physical 3-dimensional space by a partial differential equation in 3N spatial variables. The standard numerical methods thus incur an exponential increase of computational effort with N, a phenomenon known as the curse of dimensionality; in practice these methods already fail beyond N=2.DFT overcomes this problem by1) reformulating the N-body problem involving functions of 3N variables in terms of the density, a function of 3 variables,2) approximating it by a pioneering hybrid approach which keeps important ab initio contributions and re-models the remainder in a data-driven way.This book intends to be an accessible, yet state-of-art text on DFT for graduate students and researchers in applied and computational mathematics, physics, chemistry, and materials science. It introduces and reviews the main models of DFT, covering their derivation and mathematical properties, numerical treatment, and applications.
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Density Functional Theory : Modeling, Mathematical Analysis, Computational Methods, and Applications
Published by Springer International Publishing, Springer Nature Switzerland, 2023
ISBN 10: 303122339X ISBN 13: 9783031223396
Language: English
£ 152.82
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Add to basketBuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Quantum mechanics describes a system of N interacting particles in the physical 3-dimensional space by a partial differential equation in 3N spatial variables. The standard numerical methods thus incur an exponential increase of computational effort with N, a phenomenon known as the curse of dimensionality; in practice these methods already fail beyond N=2.DFT overcomes this problem by1) reformulating the N-body problem involving functions of 3N variables in terms of the density, a function of 3 variables,2) approximating it by a pioneering hybrid approach which keeps important ab initio contributions and re-models the remainder in a data-driven way.This book intends to be an accessible, yet state-of-art text on DFT for graduate students and researchers in applied and computational mathematics, physics, chemistry, and materials science. It introduces and reviews the main models of DFT, covering their derivation and mathematical properties, numerical treatment, and applications.
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£ 163.81
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Density Functional Theory
Published by Springer International Publishing, Springer International Publishing Jul 2024, 2024
ISBN 10: 303122342X ISBN 13: 9783031223426
Language: English
Seller: buchversandmimpf2000, Emtmannsberg, BAYE, Germany
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Add to basketTaschenbuch. Condition: Neu. Neuware -Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 600 pp. Englisch.
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Density Functional Theory
Published by Springer International Publishing, Springer International Publishing Jul 2023, 2023
ISBN 10: 303122339X ISBN 13: 9783031223396
Language: English
Seller: buchversandmimpf2000, Emtmannsberg, BAYE, Germany
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Add to basketBuch. Condition: Neu. Neuware -Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 600 pp. Englisch.
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Add to basketCondition: New. 2023rd edition NO-PA16APR2015-KAP.
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Méthodes Mathématiques En Chimie Quantique. Une Introduction/ Mathematical Methods in Quantum Chemistry. an Introduction -Language: French
Seller: GreatBookPricesUK, Woodford Green, United Kingdom
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Méthodes mathématiques en chimie quantique. Une introduction
Published by Springer Berlin Heidelberg Feb 2006, 2006
ISBN 10: 3540309969 ISBN 13: 9783540309963
Language: French
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Seller rating 5 out of 5 stars
£ 36.29
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Add to basketTaschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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. 432 pp. Französisch.
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Density Functional Theory
Published by Springer Verlag GmbH, 2024
ISBN 10: 303122342X ISBN 13: 9783031223426
Language: English
£ 129.39
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Density Functional Theory
Published by Springer, Berlin|Springer International Publishing|Springer, 2023
ISBN 10: 303122339X ISBN 13: 9783031223396
Language: English
£ 129.39
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Add to basketGebunden. Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials s.
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Density Functional Theory
Published by Springer International Publishing, Springer Nature Switzerland Jul 2024, 2024
ISBN 10: 303122342X ISBN 13: 9783031223426
Language: English
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Seller rating 5 out of 5 stars
£ 152.82
Convert currency£ 9.53 shipping from Germany to United KingdomQuantity: 2 available
Add to basketTaschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Quantum mechanics describes a system of N interacting particles in the physical 3-dimensional space by a partial differential equation in 3N spatial variables. The standard numerical methods thus incur an exponential increase of computational effort with N, a phenomenon known as the curse of dimensionality; in practice these methods already fail beyond N=2.DFT overcomes this problem by1) reformulating the N-body problem involving functions of 3N variables in terms of the density, a function of 3 variables,2) approximating it by a pioneering hybrid approach which keeps important ab initio contributions and re-models the remainder in a data-driven way.This book intends to be an accessible, yet state-of-art text on DFT for graduate students and researchers in applied and computational mathematics, physics, chemistry, and materials science. It introduces and reviews the main models of DFT, covering their derivation and mathematical properties, numerical treatment, and applications. 600 pp. Englisch.
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Density Functional Theory
Published by Springer International Publishing, Springer Nature Switzerland Jul 2023, 2023
ISBN 10: 303122339X ISBN 13: 9783031223396
Language: English
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Seller rating 5 out of 5 stars
£ 152.82
Convert currency£ 9.53 shipping from Germany to United KingdomQuantity: 2 available
Add to basketBuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Quantum mechanics describes a system of N interacting particles in the physical 3-dimensional space by a partial differential equation in 3N spatial variables. The standard numerical methods thus incur an exponential increase of computational effort with N, a phenomenon known as the curse of dimensionality; in practice these methods already fail beyond N=2.DFT overcomes this problem by1) reformulating the N-body problem involving functions of 3N variables in terms of the density, a function of 3 variables,2) approximating it by a pioneering hybrid approach which keeps important ab initio contributions and re-models the remainder in a data-driven way.This book intends to be an accessible, yet state-of-art text on DFT for graduate students and researchers in applied and computational mathematics, physics, chemistry, and materials science. It introduces and reviews the main models of DFT, covering their derivation and mathematical properties, numerical treatment, and applications. 600 pp. Englisch.
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