Comparison of the perturbative convergence with multireference Moller--Plesset, Epstein--Nesbet,

Chaudhuri, Rajat K.; Finley, James P.
March 1997
Journal of Chemical Physics;3/8/1997, Vol. 106 Issue 10, p4067
Academic Journal
Discusses the high order perturbation energies for excited states of beryllium hydride at geometries near the symmetric insertion transition state. Solution of equations of multireference perturbation theory through 30th order; Origin of perturbative divergence produced by Moler-Plesset and Epstein-Nesbet partitionings.


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