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On the complete set of functions in the Heitler–London method for two‐electron problem
Author(s) -
Abarenkov I. V.
Publication year - 1972
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.560060107
Subject(s) - electron , wave function , atomic orbital , set (abstract data type) , physics , atomic physics , mathematics , combinatorics , quantum mechanics , theoretical physics , computer science , programming language
It is shown that under certain restrictions the system of determinants φ i ( x 1 )φ k ( x 2 ) − φ k ( x 1 )ψ i ( x 2 ) constructed from two different sets of orbitals ψ k and φ k will be the complete set of functions for antisymmetrical two‐electron wave functions if the condition i < k is imposed.
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