Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction

Journal of Chemical Physics

Volumn 121, Issue 5, 2004, Pages 2071-2084

  Chakraborty, Arindam ^a   Truhlar, Donald G ^a   Bowman, Joel M ^b   Carter, Stuart ^b  

^a University of Minnesota   (United States)

^b EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PARTITION FUNCTION; ROVIBRATIONAL ENERGY; SINGLE-MODE FUNCTIONS; VIRTUAL CONFIGURATION INTERACTION (VCI);

APPROXIMATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; FUNCTIONS; GROUND STATE; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; OPTIMIZATION; POTENTIAL ENERGY;

METHANE;

EID: 4043092613     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1759627     Document Type: Article

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