Exact quantum Monte Carlo calculations of the potential energy surface for the reaction H+H2→H2+H

1994 ◽  
Vol 100 (11) ◽  
pp. 8089-8095 ◽  
Author(s):  
Drake L. Diedrich ◽  
James B. Anderson
Keyword(s):  
Monte Carlo ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Quantum Monte Carlo ◽  
Energy Surface ◽  
Monte Carlo Calculations ◽  
Exact Quantum

Quantum Monte Carlo and genetic algorithm study of the potential energy surface of the H +5 molecule

2008 ◽  
Vol 108 (13) ◽  
pp. 2318-2325 ◽  
Author(s):  
Geraldo M. e Silva ◽  
Ricardo Gargano ◽  
Washington B. da Silva ◽  
Luiz F. Roncaratti ◽  
Paulo H. Acioli
Keyword(s):  
Genetic Algorithm ◽  
Monte Carlo ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Quantum Monte Carlo ◽  
Energy Surface

scholarly journals Theoretical Study of Rb2in HeN: Potential Energy Surface and Monte Carlo Simulations

2011 ◽  
Vol 115 (25) ◽  
pp. 6918-6926 ◽  
Author(s):  
Grégroire Guillon ◽  
Alexandre Zanchet ◽  
Markku Leino ◽  
Alexandra Viel ◽  
Robert E. Zillich
Keyword(s):  
Monte Carlo ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Monte Carlo Simulations ◽  
Energy Surface ◽  
Theoretical Study

scholarly journals Exact quantum dynamics background of dispersion interactions: case study for CH4·Ar in full (12) dimensions

2020 ◽  
Vol 22 (5) ◽  
pp. 2792-2802
Author(s):  
Gustavo Avila ◽  
Dóra Papp ◽  
Gábor Czakó ◽  
Edit Mátyus
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Van Der Waals ◽  
Dispersion Interactions ◽  
Van Der Waals Complex ◽  
Exact Quantum

A full-dimensional ab initio potential energy surface is developed and utilized in full-dimensional variational vibrational computations for the CH4·Ar van-der-Waals complex.

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