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Separation theorem for first‐order pair‐correlation equations
Author(s) -
Langhoff P. W.
Publication year - 2009
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.560070752
Subject(s) - perturbation (astronomy) , atomic orbital , perturbation theory (quantum mechanics) , electronic correlation , physics , order (exchange) , plane wave , electron , mathematics , quantum mechanics , mathematical analysis , classical mechanics , finance , economics
The first‐order pair‐correlation equations devised by Sinanoǧlu are separated into one‐electron perturbation equations appropriate for the interactions of individual orbitals with an external electromagnetic plane wave. Solutions of the latter equations, obtained employing variational and related computational techniques, provide compact expressions for both intra‐ and intershell pair functions and energies.