Electronic Structure Calculations fo...
Kohanoff, Jorge.

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  • Electronic Structure Calculations for Solids and Molecules : = Theory and Computational Methods.
  • 紀錄類型: 書目-電子資源 : Monograph/item
    正題名/作者: Electronic Structure Calculations for Solids and Molecules :/
    其他題名: Theory and Computational Methods.
    作者: Kohanoff, Jorge.
    出版者: Leiden :Cambridge University Press, : 2006.,
    面頁冊數: 372 p.
    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
    標題: Hartree-Fock approximation. -
    電子資源: http://dx.doi.org/10.1017/CBO9780511755613Click here to view book
    ISBN: 9780511755613 (electronic bk.)
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W9170450 電子資源 11.線上閱覽_V 電子書 EB QD462.6.D45 K64 2006eb 一般使用(Normal) 在架 0
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