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分类	共搜索到 6 个相关话题(最多显示前5000个)	作者	最后发表

材料综合	Computational Materials Science An Introduction,Second ... Sham(KS)Approach5.3Kohn-Sham(KS)Equations5.4Exchange-correlation(XC)Functionals5.5SolvingKohn-Sham(KS)Equations5.6...bulk7.6Pt(111)-surface7.7NudgedElasticBand(Neb)Method7...	jiejie54lsj	2017-06-13 04:50
文献求助	...method=list&_Ar [info2]Kohn—Shamdensity-functionaltheorywithinafinitebasissetinfo'.2.'][info3]ChemicalPhysicsLettersinfo'.3.'][info4]1992info'.4.'][info5]Volume199,...[info7]...	vincent507	2017-02-21 09:48
文献求助	求助AIP文献一篇 [info2]ExtendedapplicationofKohn-Shamfirst-principlesmoleculardynamicsmethodwithplanewaveapproximationathighenergy—Fromcoldmaterialstohotdenseplasmasinfo...	star673	2016-12-16 11:36
文献求助	PRB一篇 [info1]Lin-HuiYeinfo'.1.'][info2]ComputationoftheKohn-Shamorbitalkineticenergydensityinthe...methodinfo'.2.'][info3]PRBinfo'.3.'][info4]2015info'.4.'][info5]91,...	letianhan	2015-05-15 02:05
文献求助完结子版	Spin-restricted ensemble-referenced Kohn–Sham method:basic ...	匿名	2014-11-30 02:21
量子化学	【求助】Kohn-Sham method	匿名	2008-11-14 07:08