Items related to Density Functional Theory: Modeling, Mathematical Analysis,...
Density Functional Theory: Modeling, Mathematical Analysis, Computational Methods, and Applications (Mathematics and Molecular Modeling) - Softcover
Synopsis
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 by
1) 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.
"synopsis" may belong to another edition of this title.
About the Author
From the Back Cover
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 by
1) 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.
"About this title" may belong to another edition of this title.
Buy New
View this item
£ 128.21
£ 21.46 shipping from Germany to United Kingdom
Destination, rates & speeds
Search results for Density Functional Theory: Modeling, Mathematical Analysis,...
Stock Image
Density Functional Theory: Modeling, Mathematical Analysis, Computational Methods, and Applications (Mathematics and Molecular Modeling)
Seller: Buchpark, Trebbin, Germany
Seller rating 5 out of 5 stars
Condition: Gut. Zustand: Gut | Seiten: 599 | Sprache: Englisch | Produktart: Bücher. Seller Inventory # 42818920/3
Quantity: 1 available
Seller Image
Density Functional Theory
Print on DemandSeller: moluna, Greven, Germany
Seller rating 5 out of 5 stars
Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Seller Inventory # 1769435604
Quantity: Over 20 available
Seller Image
Density Functional Theory
Published by
Springer International Publishing, Springer Nature Switzerland Jul 2024, 2024
ISBN 10: 303122342X
ISBN 13: 9783031223426
New
Taschenbuch
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Seller rating 5 out of 5 stars
Taschenbuch. 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. Seller Inventory # 9783031223426
Quantity: 2 available
Seller Image
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
New
Taschenbuch
Seller: AHA-BUCH GmbH, Einbeck, Germany
Seller rating 5 out of 5 stars
Taschenbuch. 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. Seller Inventory # 9783031223426
Quantity: 1 available
Seller Image
Density Functional Theory
ISBN 10: 303122342X
ISBN 13: 9783031223426
New
Taschenbuch
Seller: buchversandmimpf2000, Emtmannsberg, BAYE, Germany
Seller rating 5 out of 5 stars
Taschenbuch. 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. Seller Inventory # 9783031223426
Quantity: 2 available