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MRCI potential energy curves and analytical potential energy functions for the X

上传者: 2021-02-20 18:06:18上传 PDF文件 159.15KB 热度 21次
The potential energy curves (PECs) of BO molecule, including \sum+ and \prod symmetries with doublet spin multiplicities, are obtained employing multi-reference configuration interaction (MRCI) method and Dunning’s correlation consistent basis sets. The analytical potential energy functions (APEFs)
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