Rovibrational spectra of ammonia. I. Unprecedented accuracy of a potential energy surface used with nonadiabatic corrections

Journal of Chemical Physics

Volumn 134, Issue 4, 2011, Pages

  Huang, Xinchuan ^a   Schwenke, David W ^b   Lee, Timothy J ^b  

^a SETI INSTITUTE   (United States)

^b NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BORN-OPPENHEIMER APPROXIMATION; ENERGY LEVEL; EXPERIMENTAL DATA; HITRAN DATABASE; NONADIABATIC CORRECTIONS; ORDER OF MAGNITUDE; ORDERS OF MAGNITUDE; RELIABLE ENERGY; RO-VIBRATIONAL ENERGIES; ROOT-MEAN SQUARE ERRORS; ROTATIONAL DEPENDENCE; ROTATIONAL LEVELS; ROTATIONAL TRANSITION; ROVIBRATIONAL SPECTRUM; SECOND-ORDER CORRECTION; SPECTROSCOPIC DATA; SPLITTINGS; TRANSITION ENERGY;

AMMONIA; APPROXIMATION THEORY; ERRORS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE PHENOMENA; SYSTEMATIC ERRORS;

FORECASTING;

EID: 79551592984     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3541351     Document Type: Article

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