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[会议论文] 作者:Yibo Lei,Shaomei Wu,Zhenyi Wen,Huixian Han,Yusheng Dou, 来源:第六届全国物理无机化学会议 年份:2012
[会议论文] 作者:Yibo Lei,Shaomei Wu,Huixian Han,Yusheng Dou,Zhenyi Wen, 来源:第六届全国物理无机化学会议 年份:2012
[会议论文] 作者:Yibo Lei,Yubin Wang,Huixian Han,Qi Song,Bingbing Suo,Zhenyi Wen, 来源:第六届全国物理无机化学会议 年份:2012
We present an improved version of the configuration-based multi-reference second-order perturbation approach (CB-MRPT2) according to the formulation of Lindgren on perturbation theory of a degenerate...
[会议论文] 作者:Huixian Han,Yubin Wang,Yibo Lei,Bingbing Suo,GaoHong Zhai,Zhenyi Wen, 来源:International Conference on Theoretical and High Performance 年份:2013
The typical test cases have been performed to assess the performance of the improved configuration-based multi-reference second order perturbation theory (CB-MRPT2).The test cases include double-bond...
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