First-principles calculations of rovibrational energies, dipole transition intensities and partition function for ethylene using MULTIMODE

Journal of Chemical Physics

Volumn 137, Issue 15, 2012, Pages

  Carter, Stuart ^a   Sharma, Amit R ^b   Bowman, Joel M ^c  

^a UNIVERSITY OF READING   (United Kingdom)

^b ARGONNE NATIONAL LABORATORY   (United States)

^c EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; DIPOLE MOMENT SURFACES; DIPOLE TRANSITION; FIRST-PRINCIPLES CALCULATION; HITRAN DATABASE; INFRARED SPECTRUM; MULTIMODES; PARTITION FUNCTIONS; REDUCED BASIS; RO-VIBRATIONAL ENERGIES; VARIATIONAL CALCULATION;

ETHYLENE; QUANTUM CHEMISTRY; SPECTROSCOPY; VARIATIONAL TECHNIQUES;

CALCULATIONS;

EID: 84867834850     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4758005     Document Type: Article

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