Geometry optimizations in the zero order regular approximation for relativistic effects

Journal of Chemical Physics

Volumn 110, Issue 18, 1999, Pages 8943-8953

  Van Lenthe, Erik ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL EXPRESSIONS; BASIS SET EFFECTS; BOND DISSOCIATION ENERGIES; GEOMETRY OPTIMIZATION; QUASIRELATIVISTIC; RELATIVISTIC EFFECTS; ZERO ORDER REGULAR APPROXIMATIONS; ZEROTH-ORDER REGULAR APPROXIMATIONS;

LINEAR EQUATIONS; METAL COMPLEXES; TRANSITION METAL COMPOUNDS;

TUNGSTEN;

EID: 0000458921     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478813     Document Type: Article

References (2)

1. Ch. Chang, M. Pelissier, and Ph. Durand, Phys. Scr. 34, 394 (1986).
2. J-L. Heully, I. Lindgren, E. Lindroth, S. Lundqvist, and A-M. Mårtensson-Pendrill, J. Phys. B 19, 2799 (1986).