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Etat : New. In.

Softcover. Ex-library with stamp and library-signature. GOOD condition, some traces of use. Ancien Exemplaire de bibliothèque avec signature et cachet. BON état, quelques traces d'usure. Ehem. Bibliotheksexemplar mit Signatur und Stempel. GUTER Zustand, ein paar Gebrauchsspuren. 81 CAN 9783540376613 Sprache: Französisch Gewicht in Gramm: 1150.

Etat : New. In.

Etat : Gut. Zustand: Gut | Seiten: 600 | Sprache: Englisch | Produktart: Bücher | 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.

Etat : New. 1st ed. 2023 edition NO-PA16APR2015-KAP.

Taschenbuch. Etat : Neu. Density Functional Theory | Modeling, Mathematical Analysis, Computational Methods, and Applications | Eric Cancès (u. a.) | Taschenbuch | Mathematics and Molecular Modeling | xix | Englisch | 2024 | Springer | EAN 9783031223426 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Etat : New. 2023rd edition NO-PA16APR2015-KAP.

Taschenbuch. Etat : 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.

Buch. Etat : 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.

Hardcover. Etat : Brand New. 599 pages. 9.25x6.10x1.57 inches. In Stock.

Etat : New. In.

Etat : New.

Etat : New.

Etat : New. pp. 436.

Etat : New. pp. 436 34 Illus.

Etat : New. pp. 436.

Etat : New.

Taschenbuch. Etat : 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.

Etat : As New. Unread book in perfect condition.

Paperback. Etat : Like New. LIKE NEW. SHIPS FROM MULTIPLE LOCATIONS. book.

Etat : As New. Unread book in perfect condition.

Taschenbuch. Etat : 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.

Etat : new. Questo è un articolo print on demand.

Etat : new. Questo è un articolo print on demand.

Taschenbuch. Etat : 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.

Buch. Etat : 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.

Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt.

Gebunden. Etat : 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.

Taschenbuch. Etat : Neu. This item is printed on demand - Print on Demand Titel. 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 KG, Sachsenplatz 4-6, 1201 Wien 600 pp. Englisch.

Buch. Etat : Neu. This item is printed on demand - Print on Demand Titel. 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 KG, Sachsenplatz 4-6, 1201 Wien 600 pp. Englisch.