Coupled cluster anharmonic force fields, spectroscopic constants, and vibrational energies of AlF3 and SiF+3

Journal of Chemical Physics

Volumn 107, Issue 6, 1997, Pages 1717-1724

  Pak, Youngshang ^a   Sibert, Edwin L ^a   Woods, R Claude ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; FLUORINE COMPOUNDS; GEOMETRY; IONS; MATHEMATICAL TRANSFORMATIONS; MOLECULAR VIBRATIONS; PERTURBATION TECHNIQUES; POLYNOMIALS; VARIATIONAL TECHNIQUES;

ALUMINUM FLUORIDE; ANHARMONIC FORCE FIELDS; CATIONS; COUPLED CLUSTER METHOD; SECOND ORDER PERTURBATION THEORY; SILICON TRIFLUORIDE; VAN VLECK PERTURBATION THEORY;

MOLECULAR SPECTROSCOPY;

EID: 0031559554     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474613     Document Type: Article

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