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On the sigma—pi separability problem
Author(s) -
Fischer Sighart
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.560040728
Subject(s) - pi , sigma , coulomb , physics , electron , transformation (genetics) , order (exchange) , energy (signal processing) , basis (linear algebra) , mathematical physics , quantum electrodynamics , quantum mechanics , mathematics , chemistry , geometry , finance , economics , gene , biochemistry
Abstract A canonical transformation is performed in order to eliminate the strong Coulomb interaction between sigma and pi electrons. Using a restricted basis set for the sigma—pi system, the separability problem is solved to the extent that further corrections are proportional to fluctuations of the already small energy transfer term of the pi electrons.