Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocation

Journal of Chemical Physics

Volumn 145, Issue 22, 2016, Pages

  Manzhos, Sergei ^a   Carrington, Tucker ^b  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b QUEEN S UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONS; GAUSSIAN DISTRIBUTION; KINETICS; MATRIX ALGEBRA;

CARTESIAN COORDINATE; COLLOCATION POINTS; INTERNAL COORDINATES; KINETIC-ENERGY OPERATOR; MEAN ABSOLUTE ERROR; VIBRATIONAL ENERGY LEVELS; VIBRATIONAL TRANSITIONS; ZERO-POINT ENERGIES;

KINETIC ENERGY;

EID: 85006967418     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4971295     Document Type: Article

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