Minimum energy pathways via quantum Monte Carlo

Journal of Chemical Physics

Volumn 138, Issue 8, 2013, Pages

  Saccani, S ^a   Filippi, C ^b   Moroni, S ^a  

^a DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^b UNIVERSITY OF TWENTE   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORIES (DFT); MINIMUM ENERGY PATHWAYS; QUANTUM CHEMISTRY METHODS; QUANTUM MONTE CARLO; QUANTUM MONTE CARLO CALCULATIONS; REACTION BARRIERS; SYSTEM SIZE; TRANSITION STATE;

DENSITY FUNCTIONAL THEORY;

QUANTUM CHEMISTRY;

EID: 84874910231     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4792717     Document Type: Article

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