Many-body perturbation for an open-shell cluster
作者： E. Tfirst , C. Kozmutza , E. Kapuy
DOI: 10.1016/0022-2860(93)80190-7
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摘要: Abstract By applying a version of open-shell perturbation theory we calculated the correlation energy and equilibrium geometry Li 3 trimer. The results up to second order seem be satisfactory. third-order term shows that in this partitioning Hamiltonian series might not converge.
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