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Improved uncoupled Hartree–Fock ( IUCHF ) perturbation methods and bounds for the second‐order energy in coupled Hartree–Fock perturbation theory
Author(s) -
Vogler H.
Publication year - 1979
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560150617
Subject(s) - hartree–fock method , perturbation (astronomy) , perturbation theory (quantum mechanics) , møller–plesset perturbation theory , poincaré–lindstedt method , physics , quantum electrodynamics , quantum mechanics , chemistry
Different kinds of improved uncoupled Hartree–Fock methods are proposed for the calculation of second‐order perturbation energies. Using these methods inequalities are derived for the error of the uncoupled procedure with geometric approximation.