scholarly journals New variational Monte Carlo method with energy variance extrapolation for large-scale shell-model calculations

2012 ◽  
Vol 85 (2) ◽  
Author(s):  
Takahiro Mizusaki ◽  
Noritaka Shimizu
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Shell Model ◽  
Large Scale ◽  
Model Calculations ◽  
Variational Monte Carlo ◽  
Variational Monte Carlo Method

scholarly journals Ground state calculations of the confined molecular ions H2+ and HeH++ using variational Monte Carlo method

2016 ◽  
Vol 94 (5) ◽  
pp. 501-506 ◽  
Author(s):  
Salah B. Doma ◽  
Fatma N. El-Gammal ◽  
Asmaa A. Amer
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Ground State ◽  
State Energy ◽  
Molecular Ions ◽  
Variational Monte Carlo ◽  
Molecular Ion ◽  
Spheroidal Cavity ◽  
Variational Monte Carlo Method ◽  
Good Agreement

The ground state energy of hydrogen molecular ion [Formula: see text] confined by a hard prolate spheroidal cavity is calculated. The case in which the nuclear positions are clamped at the foci is considered. Our calculations are based on using the variational Monte Carlo method with an accurate trial wave function depending on many variational parameters. The results were extended to also include the HeH++ molecular ion. The obtained results are in good agreement with the most recent results.

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