Computing rovibrational levels of polyatomic molecules with polyspherical coordinates and a contracted basis built with a K-independent vibrational primitive basis

Molecular Physics

Volumn 111, Issue 14-15, 2013, Pages 2320-2333

  Wang, Xiao Gang ^a   Carrington, Tucker ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

Contracted basis set; Lanczos algorithm; Rovibrational spectroscopy

Indexed keywords

FUNCTIONS; KINETIC ENERGY; KINETICS; QUANTUM THEORY;

BASE FUNCTION; BASIS SETS; CONTRACTED BASE SET; INTERNAL COORDINATES; LANCZOS ALGORITHM; LARGE-AMPLITUDE MOTION; POLYATOMIC MOLECULES; ROVIBRATIONAL LEVELS; ROVIBRATIONAL SPECTROSCOPY; ROVIBRATIONAL SPECTRUM;

MOLECULES;

EID: 84891040968     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.808387     Document Type: Article

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