Predicting accurate vibrational frequencies for highly anharmonic systems

Journal of Chemical Physics

Volumn 129, Issue 16, 2008, Pages

  Njegic, Bosiljka ^a   Gordon, Mark S ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

OZONE WATER TREATMENT; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

ANHARMONIC SYSTEMS; BASIS SETS; CARTESIAN COORDINATES; EXPENSIVE PARTS; NORMAL MODES; PARALLELIZATION; SELF-CONSISTENT FIELDS; VIBRATIONAL FREQUENCIES;

POTENTIAL ENERGY;

EID: 55349104471     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2987712     Document Type: Article

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