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New finite‐difference method for solving the pair radial equations of the many electron perturbation theory
Author(s) -
Ischenko S. Ya.,
PavlovVerevkin V. B.
Publication year - 1981
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.560190214
Subject(s) - perturbation theory (quantum mechanics) , perturbation (astronomy) , fourier transform , electron , finite difference , physics , simple (philosophy) , zero order , fourier series , poincaré–lindstedt method , quantum mechanics , quantum electrodynamics , mathematics , mathematical analysis , computational chemistry , chemistry , first order , philosophy , epistemology
A new convenient and efficient finite‐difference ( FD ) method is developed for solving the pair radial equations ( PRE ) of many electron perturbation theory ( MPT ). This method can be interpreted as the FD analog of the well‐known Fourier method. The method is used to solve PRE arising in the second order of MPT based on the hydrogenic and Hartree–Fock ( HF ) zero approximations. Being very simple programmed our method gives results comparable with the most accurate variational calculations.