A realistic double many-body expansion potential energy surface for from a multiproperty fit to accurate ab initio energies and vibrational levels
作者： A.J.C. Varandas , S.P.J. Rodrigues
DOI: 10.1016/S1386-1425(01)00661-8
关键词: Potential energy surface 、 Ab initio 、 Chemistry 、 Molecule 、 Scaling 、 Atomic physics 、 Energy (signal processing) 、 Many body
摘要: … For this, we have used our recently proposed distributed n-body polynomial approach to express the extended Hartree–Fock part of the molecular energy, with the coefficients …
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