Excitation energy calculation of conjugated hydrocarbons: A new Pariser-Parr-Pople model parameterization approaching CASPT2 accuracy
Excitation energy calculation of conjugated hydrocarbons: A new Pariser-Parr-Pople model parameterization approaching CASPT2 accuracy
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共轭碳氢化合物的激发能计算:接近 CASPT2 精度的新 Pariser-Parr-Pople 模型参数化
DOI:
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发表时间:
2011
影响因子:
4.4
通讯作者:
Yuansheng Jiang
中科院分区:
文献类型:
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作者:
Dawei Zhang;Zexing Qu;Chungen Liu;Yuansheng Jiang