Perturbation-Adapted Perturbation Theory
arXiv:2111.09271 · doi:10.1063/5.0079853
Abstract
A new general approach is introduced for definining an optimum zero-order Hamiltonian for Rayleigh-Schrödinger perturbation theory. Instead of taking the operator directly from a model problem, it is constructed to be a best fit to the exact Hamiltonian within any desired functional form. When applied to many-body perturbation theory for electrons, strongly improved convergence is observed in cases where the conventional Fock hamiltonian leads to divergence or slow convergence.
4 pages, 2 figures, minor revisions