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Electronic Structure Calculations for Solids and Molecules :Theory and Computational Methods.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Electronic Structure Calculations for Solids and Molecules :
Reminder of title:	Theory and Computational Methods.
Author:	Kohanoff, Jorge.
Published:	Leiden :Cambridge University Press,2006.
Description:	372 p.
Subject:	Hartree-Fock approximation.
Online resource:	Click here to view book
ISBN:	9780511755613 (electronic bk.)

Electronic Structure Calculations for Solids and Molecules :Theory and Computational Methods.
Kohanoff, Jorge.

Electronic Structure Calculations for Solids and Molecules :Theory and Computational Methods.[electronic resource]. - Leiden :Cambridge University Press,2006. - 372 p.

Cover; Half-title; Title; Copyright; Dedication; Contents; Preface; Symbols; Acronyms; 1 The problem of the structure of matter; 2 The electronic problem; 3 Quantum many-body theory: chemical approaches; 4 Density functional theory; 5 Exchange and correlation in DFT: approximations and their performances; 6 Solving the electronic problem in practice; 7 Atomic pseudopotentials; 8 Basis sets; 9 Electronic structure methods; 10 Simplified approaches to the electronic problem; 11 Diagonalization and electronic self-consistency; 12 First-principles molecular dynamics (Car��arrinello); Index

This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of electrons. The first part covers the theoretical methods, including both density-functional theory and Hartree-Fock theory and the latter part discusses the different computational methods.

Electronic reproduction.

Available via World Wide Web.

Mode of access: World Wide Web.

ISBN: 9780511755613 (electronic bk.)Subjects--Topical Terms:

233542
Hartree-Fock approximation.
Index Terms--Genre/Form:

214472
Electronic books.

LC Class. No.: QD462.6.D45 K64 2006eb

Dewey Class. No.: 541.22

Electronic Structure Calculations for Solids and Molecules :Theory and Computational Methods.
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020 $a 9780511755613 (electronic bk.)
020 $a 9780521815918 (print)
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035 $a EBL273566
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050 0 0 $a QD462.6.D45 K64 2006eb
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100 1 $a Kohanoff, Jorge. $3 247523
245 1 0 $a Electronic Structure Calculations for Solids and Molecules : $b Theory and Computational Methods. $h [electronic resource].
260 $a Leiden : $b Cambridge University Press, $c 2006.
300 $a 372 p.
505 0 $a Cover; Half-title; Title; Copyright; Dedication; Contents; Preface; Symbols; Acronyms; 1 The problem of the structure of matter; 2 The electronic problem; 3 Quantum many-body theory: chemical approaches; 4 Density functional theory; 5 Exchange and correlation in DFT: approximations and their performances; 6 Solving the electronic problem in practice; 7 Atomic pseudopotentials; 8 Basis sets; 9 Electronic structure methods; 10 Simplified approaches to the electronic problem; 11 Diagonalization and electronic self-consistency; 12 First-principles molecular dynamics (Car��arrinello); Index
520 $a This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of electrons. The first part covers the theoretical methods, including both density-functional theory and Hartree-Fock theory and the latter part discusses the different computational methods.
533 $a Electronic reproduction. $n Available via World Wide Web.
538 $a Mode of access: World Wide Web.
650 4 $a Hartree-Fock approximation. $3 233542
655 7 $a Electronic books. $2 local. $3 214472
710 2 $a Ebooks Corporation. $3 322111
776 1 $z 9780521815918
856 4 0 $z Click here to view book $u http://dx.doi.org/10.1017/CBO9780511755613