Jahn-Teller effect versus spin-orbit coupling in X 2E CH 3S: An ab initio study by the equation-of-motion coupled cluster method and multiconfiguration quasi-degenerate second-order perturbation theory

Journal of Physical Chemistry A

Volumn 108, Issue 47, 2004, Pages 10594-10601

  Marenich, Aleksandr V ^a   Boggs, James E ^a  

^a The University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

SPIN-ORBIT COUPLING; STABILIZATION ENERGY; STATIONARY POINTS; WAVE FUNCTIONS;

FUNCTIONS; GROUND STATE; NEGATIVE IONS; PARAMETER ESTIMATION; PERTURBATION TECHNIQUES; QUENCHING;

EQUATIONS OF MOTION;

EID: 10044283186     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp040443f     Document Type: Article

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