Dissociation energy and electronic structure of the low valent lanthanide compound NdF
作者： Christopher South , George Schoendorff , Angela K. Wilson
DOI: 10.1002/QUA.25128
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摘要: The electronic structure and dissociation energy of NdF+ are calculated using equation motion completely renormalized coupled cluster theory [EOM-CR-CCSD(T)]. potential curves several the lowest quintet triplet states in each irreducible representation C2v symmetry along with ground state NdF+. energies then compared to those analogous compounds NdF2+ NdF understand effect that Nd 5d 6s orbitals have on chemical bonding environment. © 2016 Wiley Periodicals, Inc.
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