Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH

Journal of Chemical Physics

Volumn 122, Issue 23, 2005, Pages

  Deyonker, Nathan J ^a   Li, Se ^a   Yamaguchi, Yukio ^a   Schaefer III, Henry F ^a   Crawford, T Daniel ^b   King, Rollin A ^c   Peterson, Kirk A ^d  

^a UNIVERSITY OF GEORGIA   (United States)

^b VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^c BETHEL UNIVERSITY   (United States)

^d WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED-CLUSTER METHODS; EQUATION-OF-MOTION COUPLED-CLUSTER (EOM-CC); HYDROBORON MONOXIDE (HBO); TRIPLET ELECTRONIC STATES;

BORON COMPOUNDS; COMBUSTION; ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; FUNCTIONS; SET THEORY;

EQUATIONS OF MOTION;

EID: 23344446028     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1927078     Document Type: Article

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