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

Dyall, Kenneth G.
June 1997
Journal of Chemical Physics;6/15/1997, Vol. 106 Issue 23, p9618
Academic Journal
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.


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