大葉大學圖書館 |

登入

回首頁

Electronic Structure Calculations fo...

Ebooks Corporation.

Electronic Structure Calculations for Solids and Molecules :[electronic resource].Theory and Computational Methods.

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
杜威分類號:	541.22
書名/作者:	Electronic Structure Calculations for Solids and Molecules : : Theory and Computational Methods.
作者:	Kohanoff, Jorge.
出版者:	Leiden : : Cambridge University Press,, 2006.
面頁冊數:	372 p.
標題:	Hartree-Fock approximation.
ISBN:	9780511755613 (electronic bk.)
ISBN:	9780521815918 (print)
內容註:	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–Parrinello); Index
摘要、提要註:	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.
電子資源:	Click here to view book

Electronic Structure Calculations for Solids and Molecules :[electronic resource].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–Parrinello); 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:

567481
Hartree-Fock approximation.
Index Terms--Genre/Form:

336502
Electronic books.

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

Dewey Class. No.: 541.22

Electronic Structure Calculations for Solids and Molecules :[electronic resource].Theory and Computational Methods.
LDR:01862nam a22002773u 4500 001 405818
003 AU-PeEL
005 20090601202845.0
006 m d
007 cr mn---------
008 140714t2006 ||| s |||||||eng|d
020 $a 9780511755613 (electronic bk.)
020 $a 9780521815918 (print)
035 $a EBL273566
035 $a EBL273566
040 $a AU-PeEL $c AU-PeEL $d AU-PeEL
050 0 0 $a QD462.6.D45 K64 2006eb
082 0 0 $a 541.22
100 1 $a Kohanoff, Jorge. $3 567480
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–Parrinello); 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 567481
655 7 $a Electronic books. $2 local $3 336502
710 2 $a Ebooks Corporation. $3 380544
776 1 $z 9780521815918
856 4 0 $z Click here to view book $u http://ebooks.cambridge.org/ebook.jsf?bid=CBO9780511755613

筆 0 讀者評論

多媒體

多媒體檔案
http://ebooks.cambridge.org/ebook.jsf?bid=CBO9780511755613

評論

新增評論分享你的心得

Export

取書館別