New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states

Journal of Chemical Physics

Volumn 120, Issue 4, 2004, Pages 1715-1738

  Kowalski, Karol ^a   Piecuch, Piotr ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARBON; CHEMICAL BONDS; COORDINATION REACTIONS; ELECTRONIC STRUCTURE; EQUATIONS OF MOTION; GROUND STATE; HAMILTONIANS; ISOMERIZATION; MOLECULAR STRUCTURE; NITROGEN; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

COUPLED-CLUSTER (CC) THEORY; MULTIREFERENCE CONFIGURATION INTERACTION (MRCI) METHODS; POTENTIAL ENERGY SURFACES (PES);

HIGH ENERGY PHYSICS;

EID: 1242287436     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1632474     Document Type: Article

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