TITLE

Interfacing relativistic and nonrelativistic methods. I. Normalized elimination of the small

AUTHOR(S)
Dyall, Kenneth G.
PUB. DATE
June 1997
SOURCE
Journal of Chemical Physics;6/15/1997, Vol. 106 Issue 23, p9618
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Explains strategies in introducing relativistic terms into the nonrelativistic all-electron Dirac equation. Method of normalized elimination of the small component within the matrix representation of the modified Dirac equation; Contrasts to the usual method of ESC; Description of the matrix used to define a modified set of one- and two-electron integrals.
ACCESSION #
4278725

 

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