Using experimental data and a contracted basis Lanczos method to determine an accurate methane potential energy surface from a least squares optimization

Journal of Chemical Physics

Volumn 141, Issue 15, 2014, Pages

  Wang, Xiao Gang ^a   Carrington, Tucker ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

METHANE; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

5-LEVEL; AB INITIO; LANCZOS METHODS; LEAST-SQUARES OPTIMIZATION; METHANE POTENTIAL; POLYADS; ROOT MEAN SQUARE DEVIATIONS; VIBRATIONAL LEVELS;

LEAST SQUARES APPROXIMATIONS;

EID: 84908053080     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4896569     Document Type: Article

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