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Quantal density functional theory

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Quantal density functional theory/ by Viraht Sahni.
Author:	Sahni, Viraht.
Published:	Berlin, Heidelberg :Springer Berlin Heidelberg : : 2016.,
Description:	xix, 413 p. :ill., digital ; : 24 cm.;
Contained By:	Springer eBooks
Subject:	Density functionals. -
Online resource:	http://dx.doi.org/10.1007/978-3-662-49842-2
ISBN:	9783662498422

Quantal density functional theory
Sahni, Viraht.

Quantal density functional theory[electronic resource] /by Viraht Sahni. - 2nd ed. - Berlin, Heidelberg :Springer Berlin Heidelberg :2016. - xix, 413 p. :ill., digital ;24 cm.

From the Contents: Schrodinger Theory from the Perspective of 'Classical' Fields Derived from Quantal Sources -- Quantal Density Functional Theory -- The Hohenberg-Kohn Theorems and Kohn-Sham Density Functional Theory -- Physical Interpretation of Kohn-Sham Density Functional Theory -- Generalization of the Hohenberg-Kohn Theorem to the Presence of a Magnetostatic Field.

This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is extended to include the presence of external magnetostatic fields. The theory is a description of matter based on the 'quantal Newtonian' first and second laws which is in terms of "classical" fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of electron correlations due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, correlation-current-density, and correlation-magnetic effects. The book further describes Schrodinger theory from the new physical perspective of fields and quantal sources. It also describes traditional Hohenberg-Kohn-Sham DFT, and explains via QDFT the physics underlying the various energy functionals and functional derivatives of the traditional approach to electronic structure.

ISBN: 9783662498422

Standard No.: 10.1007/978-3-662-49842-2doiSubjects--Topical Terms:

784959
Density functionals.

LC Class. No.: QC20.7.D43 / S35 2016

Dewey Class. No.: 530.12

Quantal density functional theory
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245 1 0 $a Quantal density functional theory $h [electronic resource] / $c by Viraht Sahni.
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300 $a xix, 413 p. : $b ill., digital ; $c 24 cm.
505 0 $a From the Contents: Schrodinger Theory from the Perspective of 'Classical' Fields Derived from Quantal Sources -- Quantal Density Functional Theory -- The Hohenberg-Kohn Theorems and Kohn-Sham Density Functional Theory -- Physical Interpretation of Kohn-Sham Density Functional Theory -- Generalization of the Hohenberg-Kohn Theorem to the Presence of a Magnetostatic Field.
520 $a This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is extended to include the presence of external magnetostatic fields. The theory is a description of matter based on the 'quantal Newtonian' first and second laws which is in terms of "classical" fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of electron correlations due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, correlation-current-density, and correlation-magnetic effects. The book further describes Schrodinger theory from the new physical perspective of fields and quantal sources. It also describes traditional Hohenberg-Kohn-Sham DFT, and explains via QDFT the physics underlying the various energy functionals and functional derivatives of the traditional approach to electronic structure.
650 0 $a Density functionals. $3 784959
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650 2 4 $a Math. Applications in Chemistry. $3 673515
650 2 4 $a Surface and Interface Science, Thin Films. $3 782551
650 2 4 $a Surfaces and Interfaces, Thin Films. $3 671207
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