A CAS study on S-loss and O-loss dissoci
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Qingyong Meng; Ming-Bao Huang
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Article
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2010
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John Wiley and Sons
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English
β 269 KB
In the present work, we mainly study dissociation of the C 2 B 1 , D 2 A 1 , and E 2 B 2 states of the SO 2 1 ion using the complete active-space self-consistent field (CASSCF) and multiconfiguration second-order perturbation theory (CASPT2) methods. We first performed CASPT2 potential energy curve