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On the performance of the open-shell perturbation theory |
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| Authors: | CHEN FeiWu WEI MeiJu & LIU WenJian |
| Institution: | CHEN FeiWu1*,WEI MeiJu1 & LIU WenJian2 1Department of Chemistry,University of Science and Technology Beijing,Beijing 100083,China 2Beijing National Laboratory for Molecular Sciences,Institute of Theoretical and Computational Chemistry,State Key Laboratory of Rare Earth Materials Chemistry and Applications,College of Chemistry and Molecular Engineering,Peking University,Beijing 100871,China |
| Abstract: | |
| Keywords: | open shell perturbation theory convergence bond length harmonic vibrational frequency |
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