Quantal Density Functional Theory [electronic resource] /

Sahni, Viraht. author.; SpringerLink (Online service)

Quantal Density Functional Theory [electronic resource] /

Quantal density functional theory (Q-DFT) is a new local effective potential energy theory of the electronic structure of matter. It is a description in terms of classical fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of the many-body electron correlations present in such a description, namely, those due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, and correlation-current-density effects. The book further describes Schrödinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT.

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Main Authors:	Sahni, Viraht. author., SpringerLink (Online service)
Format:	Texto biblioteca
Language:	eng
Published:	Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2004
Subjects:	Physics., Physical chemistry., Quantum physics., Phase transitions (Statistical physics)., Quantum computers., Spintronics., Quantum Physics., Quantum Information Technology, Spintronics., Physical Chemistry., Mathematical Methods in Physics., Numerical and Computational Physics., Phase Transitions and Multiphase Systems.,
Online Access:	http://dx.doi.org/10.1007/978-3-662-09624-6
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spelling	KOHA-OAI-TEST:2016722018-07-30T23:29:05ZQuantal Density Functional Theory [electronic resource] / Sahni, Viraht. author. SpringerLink (Online service) textBerlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer,2004.engQuantal density functional theory (Q-DFT) is a new local effective potential energy theory of the electronic structure of matter. It is a description in terms of classical fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of the many-body electron correlations present in such a description, namely, those due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, and correlation-current-density effects. The book further describes Schrödinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT.1. Introduction -- 2. Schrödinger Theory from the Perspective of ‘Classical’ Fields Derived from Quantal Sources -- 3. Quantal Density Functional Theory -- 4. The Hohenberg-Kohn Theorems and Kohn-Sham Density Functional Theory -- 5. Physical Interpretation of Kohn-Sham Density Functional Theory -- 6. Quantal Density Functional Theory of the Density Amplitude -- 7. Quantal Density Functional Theory of the Discontinuity in the Electron-Interaction Potential Energy -- 8. Further Insights Derived Via Quantal Density Functional Theory -- 9. Epilogue -- Appendices -- A. Proof of the Pure State Differential Virial Theorem -- B. Proof of the Harmonic Potential Theorem -- C. Analytical Expressions for the Properties of the Ground and First Excited Singlet States of the Hooke’s Atom -- D. Derivation of the Kinetic-Energy-Density Tensor for Hooke’s Atom in Its Ground State -- E. Proof of the S System Differential Virial Theorem -- F. Derivation of the Pair-Correlation Density in the Local Density Approximation for Exchange -- References.Quantal density functional theory (Q-DFT) is a new local effective potential energy theory of the electronic structure of matter. It is a description in terms of classical fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of the many-body electron correlations present in such a description, namely, those due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, and correlation-current-density effects. The book further describes Schrödinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT.Physics.Physical chemistry.Quantum physics.Phase transitions (Statistical physics).Quantum computers.Spintronics.Physics.Quantum Physics.Quantum Information Technology, Spintronics.Physical Chemistry.Mathematical Methods in Physics.Numerical and Computational Physics.Phase Transitions and Multiphase Systems.Springer eBookshttp://dx.doi.org/10.1007/978-3-662-09624-6URN:ISBN:9783662096246
institution	COLPOS
collection	Koha
country	México
countrycode	MX
component	Bibliográfico
access	En linea En linea
databasecode	cat-colpos
tag	biblioteca
region	America del Norte
libraryname	Departamento de documentación y biblioteca de COLPOS
language	eng
topic	Physics. Physical chemistry. Quantum physics. Phase transitions (Statistical physics). Quantum computers. Spintronics. Physics. Quantum Physics. Quantum Information Technology, Spintronics. Physical Chemistry. Mathematical Methods in Physics. Numerical and Computational Physics. Phase Transitions and Multiphase Systems. Physics. Physical chemistry. Quantum physics. Phase transitions (Statistical physics). Quantum computers. Spintronics. Physics. Quantum Physics. Quantum Information Technology, Spintronics. Physical Chemistry. Mathematical Methods in Physics. Numerical and Computational Physics. Phase Transitions and Multiphase Systems.
spellingShingle	Physics. Physical chemistry. Quantum physics. Phase transitions (Statistical physics). Quantum computers. Spintronics. Physics. Quantum Physics. Quantum Information Technology, Spintronics. Physical Chemistry. Mathematical Methods in Physics. Numerical and Computational Physics. Phase Transitions and Multiphase Systems. Physics. Physical chemistry. Quantum physics. Phase transitions (Statistical physics). Quantum computers. Spintronics. Physics. Quantum Physics. Quantum Information Technology, Spintronics. Physical Chemistry. Mathematical Methods in Physics. Numerical and Computational Physics. Phase Transitions and Multiphase Systems. Sahni, Viraht. author. SpringerLink (Online service) Quantal Density Functional Theory [electronic resource] /
description	Quantal density functional theory (Q-DFT) is a new local effective potential energy theory of the electronic structure of matter. It is a description in terms of classical fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of the many-body electron correlations present in such a description, namely, those due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, and correlation-current-density effects. The book further describes Schrödinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT.
format	Texto
topic_facet	Physics. Physical chemistry. Quantum physics. Phase transitions (Statistical physics). Quantum computers. Spintronics. Physics. Quantum Physics. Quantum Information Technology, Spintronics. Physical Chemistry. Mathematical Methods in Physics. Numerical and Computational Physics. Phase Transitions and Multiphase Systems.
author	Sahni, Viraht. author. SpringerLink (Online service)
author_facet	Sahni, Viraht. author. SpringerLink (Online service)
author_sort	Sahni, Viraht. author.
title	Quantal Density Functional Theory [electronic resource] /
title_short	Quantal Density Functional Theory [electronic resource] /
title_full	Quantal Density Functional Theory [electronic resource] /
title_fullStr	Quantal Density Functional Theory [electronic resource] /
title_full_unstemmed	Quantal Density Functional Theory [electronic resource] /
title_sort	quantal density functional theory [electronic resource] /
publisher	Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer,
publishDate	2004
url	http://dx.doi.org/10.1007/978-3-662-09624-6
work_keys_str_mv	AT sahnivirahtauthor quantaldensityfunctionaltheoryelectronicresource AT springerlinkonlineservice quantaldensityfunctionaltheoryelectronicresource
_version_	1756267596137627648

Quantal Density Functional Theory [electronic resource] /

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