Ab initio diffusion monte carlo calculations of the quantum behavior of CH 5 + in full dimensionality

Journal of Physical Chemistry A

Volumn 108, Issue 23, 2004, Pages 4991-4994

  McCoy, Anne B ^a   Braams, Bastiaan J ^b   Brown, Alex ^b,c   Huang, Xinchuan ^b   Jin, Zhong ^b   Bowman, Joel M ^b  

^a OHIO STATE UNIVERSITY   (United States)

^b EMORY UNIVERSITY   (United States)

^c UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BOND LENGTH DISTRIBUTIONS; HARMONIC DISTRIBUTIONS; MOLECULAR DYNAMICS SIMULATIONS; ZERO-POINT ENERGIES;

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTER SIMULATION; DIFFUSION; HARMONIC ANALYSIS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; POTENTIAL ENERGY; QUANTUM THEORY;

MOLECULAR STRUCTURE;

EID: 3042553998     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0487096     Document Type: Article

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