Dark 2Ag State as Pathway for Intramolecular Singlet Fission:a DMRG Study

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：tygsfe

【摘要】

：

　　The fact that the double-excitation(dark 2Ag state)lies below single excitation(1Bu)discovered experimentally by Kohler [1] had been a long-standing puzzle

【作者】

：

ShuaiZhigang[1]RenJiajun[1]YuanpingYi[2]

【机构】

：

Department of Chemistry,Tsinghua University,100084 Beijing,China

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

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　　The fact that the double-excitation(dark 2Ag state)lies below single excitation(1Bu)discovered experimentally by Kohler [1] had been a long-standing puzzle in quantum chemistry solved by Karplus et al [2] by considering electron correlation at the configuration interaction level.

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