MS-CASPT2 study of the ground and low lying states of CsH+
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DOI: 10.1007/s00894-017-3503-9
Abstract: AbstractCorrelated ab initio methods [CASPT2 and R-CCSD(T)] in conjunction with the ANO-RCC basis sets in large contraction were used to calculate potential energy curves (PECs) of the ground and excited electronic states of CsH+ (doublets… read more here.
Keywords: ground; caspt2 study; binding energy; states csh ... See more keywords