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Ab initio configuration interaction study of the ground and low lying excited st

上传者: 2021-03-07 07:08:29上传 PDF文件 199.84KB 热度 19次
The multi-reference configuration interaction (MRCI) electronic energy calculations have been carried out on the ground state (X1'Sigma') as well as three low-lying excited states (3'Sigma', 1'Pi', 3'Pi') of ZnCd dimer. Potential energy curves (PECs) are therefore generated and fitted to the analyti
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