Unraveling rotation-vibration mixing in highly fluxional molecules using diffusion Monte Carlo: Applications to H 3 + and H 3 O

Journal of Chemical Physics

Volumn 136, Issue 7, 2012, Pages

  Petit, Andrew S ^a   Wellen, Bethany A ^a   McCoy, Anne B ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFUSION MONTE CARLO; DIFFUSION MONTE CARLO CALCULATIONS; INVERSION MODES; LARGE AMPLITUDE; MODEL SYSTEM; NODAL REGION; VARIATIONAL CALCULATION; VIBRATIONAL MOTIONS;

DIFFUSION; MIXING; MONTE CARLO METHODS; VARIATIONAL TECHNIQUES;

ROTATION;

EID: 84857541476     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3681391     Document Type: Article

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