scholarly journals Diffusion Monte Carlo Calculations for Rare-earths: Hartree-Fock, Hybrid B3LYP, and Long-range Corrected LC-BLYP Functional

2016 ◽  
Vol 10 (1) ◽  
pp. 5-10
Author(s):  
Nagat Elkahwagy ◽  
Atif Ismail ◽  
S. M. A. Maize ◽  
K. R. Mahmoud
Keyword(s):  
Monte Carlo ◽  
Long Range ◽  
Rare Earths ◽  
Diffusion Monte Carlo ◽  
Hartree Fock ◽  
Monte Carlo Calculations

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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