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Comment on “Quasirelativistic theory equivalent to fully relativistic theory” [J. Chem. Phys. 123, 241102 (2005)].
- Source :
-
Journal of Chemical Physics . 9/14/2006, Vol. 125 Issue 10, p107101. 2p. - Publication Year :
- 2006
-
Abstract
- The connection between the exact quasirelativistic approach developed in the title reference [W. Kutzelnigg and W. Liu, J. Chem. Phys. 123, 241102 (2005)] and the method of elimination of the small component in matrix form developed previously by Dyall is explicitly worked out. An equation that links Hermitian and non-Hermitian formulations of the exact quasirelativistic theory is derived. Besides establishing a kinship between the existing formulations, the proposed equation can be employed for the derivation of new formulations of the exact quasirelativistic theory. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 125
- Issue :
- 10
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 22420549
- Full Text :
- https://doi.org/10.1063/1.2338033