On the validity of the born-oppenheimer separation and the accuracy of diagonal corrections in anharmonic molecular vibrations

Journal of Physical Chemistry A

Volumn 113, Issue 45, 2009, Pages 12461-12469

  Hirata, So ^a   Miller, Edward B ^a   Ohnishi, Yu Ya ^b   Yagi, Kiyoshi ^c  

^a J Crayton Pruitt Family Department of Biomedical Engineering   (United States)

^b KYOTO UNIVERSITY   (Japan)

^c UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; BORN-OPPENHEIMER; BORN-OPPENHEIMER SEPARATION; FIRST-ORDER; HEAVY PARTICLES; KINETIC-ENERGY OPERATOR; LIGHT PARTICLES; MASS RATIO; NUMERICAL RESULTS; PARTICLE MOTIONS; TRANSLATIONAL DEGREES OF FREEDOMS; VIBRATIONAL STATE;

DEGREES OF FREEDOM (MECHANICS); JOINTS (STRUCTURAL COMPONENTS); POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE PHENOMENA; WAVE FUNCTIONS;

ERRORS;

EID: 70449413823     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp903375d     Document Type: Article

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