A Chemist's Guide to Density Functional Theory, 2nd Edition 豆 0.0分

资源最后更新于 2020-10-26 12:43:37

作者：Wolfram Koch

出版社：Wiley-VCH

出版日期：2001-01

ISBN：9783527303724

文件格式： pdf

标签： DFT 第一本书 量子化学 化学 1 QC

简介· · · · · ·

"Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanis...