Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods 豆 0.0分

资源最后更新于 2020-10-26 12:40:18

作者：Dominik Marx

出版社：Cambridge University Press

出版日期：2009-01

ISBN：9780521898638

文件格式： pdf

标签： 第一性原理 理论化学 物理 材料 教材 化学 分子动力学 电子结构

简介· · · · · ·

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theor...