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Analytical Schwartz density applied to heavy two‐electron ions
Author(s) -
Romera E.,
Dehesa J. S.,
Koga Toshikatsu
Publication year - 1997
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/(sici)1097-461x(1997)61:3<525::aid-qua20>3.0.co;2-6
Subject(s) - electron density , wave function , electron , ion , atomic physics , chemistry , function (biology) , physics , quantum mechanics , evolutionary biology , biology
An analytical expression of the electron density function p ( r ) due to Schwartz for two‐electron atomic systems is applied to a detailed study of density‐dependent properties of relatively heavy two‐electron ions. Comparison of the Schwartz results with those from accurate Hartree‐Fock and Hylleraas wave functions shows that despite its simple yet analytical form, the Schwartz density has a quantitative applicability in the density study of two‐electron atoms within the nonrelativistic framework. © 1997 John Wiley & Sons, Inc.