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The Coulomb hole in the 2 3 S state of the helium isoelectronic sequence
Author(s) -
Boyd R. J.,
Katriel J.
Publication year - 1974
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.560080212
Subject(s) - atomic physics , coulomb , helium , wave function , sequence (biology) , hartree–fock method , ion , discontinuity (linguistics) , physics , state (computer science) , coulomb barrier , chemistry , quantum mechanics , electron , mathematics , mathematical analysis , biochemistry , algorithm , computer science
The pair distribution functions evaluated for the 2 3 S state of the helium isoelectronic sequence from the Hart and Herzberg correlated wave functions and those corresponding to the Hartree‐Fock approximation are used to determine the shape of the corresponding Coulomb holes. As a consequence of a discontinuity in the Hartree‐Fock solution between He and Li + , the Coulomb hole has a different shape for He than for Li + and the other isoelectronic ions.