Automated calculation of fundamental frequencies: Application to AlH3 using the coupled-cluster singles-and-doubles with perturbative triples method

Journal of Chemical Physics

Volumn 119, Issue 4, 2003, Pages 1951-1960

  Ruden, T A ^a,b   Taylor, P R ^b   Helgaker, T ^a  

^a UNIVERSITY OF OSLO   (Norway)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEMICAL BONDS; COMPUTER SIMULATION; DIFFERENTIATION (CALCULUS); ELECTRON ENERGY LEVELS; FINITE DIFFERENCE METHOD; ISOMERS; ISOTOPES; MOLECULAR VIBRATIONS; MOLECULES; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

ALUMINUM HYDRIDE; COUPLED-CLUSTER SINGLES-AND-DOUBLES; ISOTOPOMERS; PERTURBATIVE TRIPLES METHOD;

ALUMINUM COMPOUNDS;

EID: 0042208077     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1583671     Document Type: Article

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