Diffusion Monte Carlo simulations of the dipole-bound state of the water dimer anion

1999 ◽  
Vol 111 (23) ◽  
pp. 10559-10565 ◽  
Author(s):  
David C. Clary ◽  
David M. Benoit
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Bound State ◽  
Water Dimer ◽  
Diffusion Monte Carlo

Time step error in diffusion Monte Carlo simulations: An empirical study

1987 ◽  
Vol 8 (4) ◽  
pp. 412-419 ◽  
Author(s):  
Stuart M. Rothstein ◽  
Narayan Patil ◽  
Jan Vrbik
Keyword(s):  
Monte Carlo ◽  
Empirical Study ◽  
Monte Carlo Simulations ◽  
Diffusion Monte Carlo ◽  
Time Step

Time step bias improvement in diffusion Monte Carlo simulations

2000 ◽  
Vol 61 (2) ◽  
pp. 2050-2057 ◽  
Author(s):  
Massimo Mella ◽  
Gabriele Morosi ◽  
Dario Bressanini
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Diffusion Monte Carlo ◽  
Time Step

Diffusion Monte Carlo simulations of methanol–water clusters

1999 ◽  
Vol 301 (3-4) ◽  
pp. 275-280 ◽  
Author(s):  
Jaime L Iosue ◽  
David M Benoit ◽  
David C Clary
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Water Clusters ◽  
Diffusion Monte Carlo

STRUCTURAL PROPERTIES OF COPPER NANOPARTICLES: MODIFIED DIFFUSION MONTE CARLO SIMULATIONS

2006 ◽  
Vol 17 (08) ◽  
pp. 1171-1177 ◽  
Author(s):  
NAZIM DUGAN ◽  
ŞAKİR ERKOÇ
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Monte Carlo Simulations ◽  
Structural Properties ◽  
Copper Nanoparticles ◽  
Pair Potential ◽  
Diffusion Monte Carlo ◽  
Coordination Numbers ◽  
Diffusion Monte Carlo Method ◽  
Stable Structures

Brief information about nanoparticles and size dependency of their properties is given. Structural properties of copper nanoparticles, Cu n (n = 50, 100, 150) have been investigated by a modified version of diffusion Monte Carlo method, using an empirical pair potential developed and parameterized for copper. Radial distribution of atoms and the coordination numbers are investigated by the optimum geometries obtained. It has been found that stable structures of copper nanoparticles considered have compact spherical shapes.

Variational and diffusion Monte Carlo simulations of a hydrogen molecular ion in a spherical box

2019 ◽  
Vol 28 (5) ◽  
pp. 056401
Author(s):  
Xuehui Xiao ◽  
Kuo Bao ◽  
Youchun Wang ◽  
Hui Xie ◽  
Defang Duan ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Diffusion Monte Carlo ◽  
Hydrogen Molecular Ion ◽  
Molecular Ion ◽  
And Diffusion
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