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Electronic Structure Calculations fo...
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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.
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http://ebooks.cambridge.org/ebook.jsf?bid=CBO9780511755613
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