A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects

Journal of Chemical Physics

Volumn 128, Issue 4, 2008, Pages

  Zheng, Jingjing ^a   Gour, Jeffrey R ^b   Lutz, Jesse J ^b   Włoch, Marta ^b,c   Piecuch, Piotr ^b   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

^b MICHIGAN STATE UNIVERSITY   (United States)

^c MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION ALGORITHMS; CORRELATION METHODS; ELECTRONS; EXCITED STATES; PERTURBATION TECHNIQUES; THERMOCHEMISTRY;

COMPUTATIONAL COSTS; REACTION BARRIERS; RENORMALIZED COUPLED CLUSTERS; THERMOCHEMICAL KINETICS;

DATABASE SYSTEMS;

EID: 38849085980     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2825596     Document Type: Article

References (26)

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