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分类	共搜索到 3 个相关话题(最多显示前5000个)	作者	最后发表

量子化学	GAMESS-US version 2013-05-01 has been realeased CorrelationEnergyExtrapolationbyIntrinsicScaling(CEEIS)forexcitedstates,Multi-referenceperturbationtheoryforOccupationRestrictedMultipleActiveSpace(ORMAS)references,...	寒雨人生	2013-06-07 09:02
量子化学	【求助】GAMESS:spin contamination in ORMAS and segmentation ... ItrytocalculatetheORMAS-CIofOxygenmolecularion,belowismyinputfile,whenIuseasimplebasisN6-31,Ifindtherearespincontaminationintheresults,...	ywfsxh	2011-03-13 08:21
计算模拟	ORMAS(Occupation Restricted Multiple Active Space ...	匿名	2008-11-21 07:55