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Quantal density functional theory[electronic resource] /

紀錄類型:	書目-電子資源 : Monograph/item
杜威分類號:	530.12
書名/作者:	Quantal density functional theory/ by Viraht Sahni.
作者:	Sahni, Viraht.
出版者:	Berlin, Heidelberg : : Springer Berlin Heidelberg :, 2016.
面頁冊數:	xix, 413 p. : : ill., digital ;; 24 cm.
Contained By:	Springer eBooks
標題:	Density functionals.
標題:	Quantum theory.
標題:	Physics.
標題:	Theoretical, Mathematical and Computational Physics.
標題:	Math. Applications in Chemistry.
標題:	Surface and Interface Science, Thin Films.
標題:	Surfaces and Interfaces, Thin Films.
ISBN:	9783662498422
ISBN:	9783662498408
內容註:	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.
摘要、提要註:	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.
電子資源:	http://dx.doi.org/10.1007/978-3-662-49842-2

Quantal density functional theory[electronic resource] /
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:

394283
Density functionals.

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

Dewey Class. No.: 530.12

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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.
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