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Comment on “Quasirelativistic theory equivalent to fully relativistic theory” [J. Chem. Phys. 123, 241102 (2005)].

Authors :
Filatov, Michael
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