Ab Initio Diffusion Monte Carlo Calculations of the Quantum Behavior of CH5+in Full Dimensionality

2004 ◽  
Vol 108 (23) ◽  
pp. 4991-4994 ◽  
Author(s):  
Anne B. McCoy ◽  
Bastiaan J. Braams ◽  
Alex Brown ◽  
Xinchuan Huang ◽  
Zhong Jin ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Diffusion Monte Carlo ◽  
Monte Carlo Calculations ◽  
Quantum Behavior

Characterization of Ar[sub n]O[sup −] clusters from ab initio and diffusion Monte Carlo calculations

2003 ◽  
Vol 118 (6) ◽  
pp. 2748 ◽  
Author(s):  
Jacek Jakowski ◽  
Grzegorz Chałasiński ◽  
Joseph Gallegos ◽  
Mark W. Severson ◽  
M. M. Szczȩśniak
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Diffusion Monte Carlo ◽  
Monte Carlo Calculations ◽  
And Diffusion

Quantifying electron-correlation effects in small coinage-metal clusters by ab initio calculations

2021 ◽  
Author(s):  
Victor Giovanni de Pina ◽  
Bráulio Gabriel Alencar Brito ◽  
Guo -Q Hai ◽  
Ladir Cândido
Keyword(s):  
Monte Carlo ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electron Correlation ◽  
Metal Clusters ◽  
Correlation Effects ◽  
Diffusion Monte Carlo ◽  
Coinage Metal ◽  
Electron Correlation Effects ◽  
Fixed Node

We investigate many-electron correlation effects in neutral and charged coinage-metal clusters Cun, Agn, and Aun (n = 1 − 4) by ab initio calculations using fixed-node diffusion Monte Carlo (FN-DMC)...

Diabatic diffusion Monte Carlo calculations of the energy and structure of the Cl 2 He n ( n =1–10) clusters

1999 ◽  
Vol 493 (1-3) ◽  
pp. 125-132 ◽  
Author(s):  
C. Garcı́a-Rizo ◽  
M.I. Hernández ◽  
A. Garcı́a-Vela ◽  
P. Villarreal ◽  
G. Delgado-Barrio
Keyword(s):  
Monte Carlo ◽  
Diffusion Monte Carlo ◽  
Monte Carlo Calculations
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