Perturbation-Adapted Perturbation Theory (2111.09271v3)

Published 17 Nov 2021 in quant-ph, cond-mat.str-el, and physics.chem-ph

Abstract: A new general approach is introduced for definining an optimum zero-order Hamiltonian for Rayleigh-Schr\"odinger 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.

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Authors (1)

Peter J. Knowles

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