scholarly journals Wave function optimization in the variational Monte Carlo method

2005 ◽  
Vol 71 (24) ◽  
Author(s):  
Sandro Sorella
Keyword(s):  
Monte Carlo ◽  
Wave Function ◽  
Monte Carlo Method ◽  
Function Optimization ◽  
Variational Monte Carlo ◽  
Variational Monte Carlo Method

scholarly journals Alpha correlations in terms of the hyper-Pfaffian

2019 ◽  
Vol 223 ◽  
pp. 01040
Author(s):  
Takahiro Mizusaki ◽  
Peter Schuck
Keyword(s):  
Monte Carlo ◽  
Wave Function ◽  
Monte Carlo Method ◽  
Nuclear Structure ◽  
Natural Extension ◽  
Variational Monte Carlo ◽  
Variational Monte Carlo Method ◽  
Nuclear Structure Calculations ◽  
Structure Calculations ◽  
Mathematical Relations

We find that the overlap between alpha-like four-body condensation wave function and m-scheme basis state can be represented by the hyper-Pfaffian, which is a natural extension of the Pfaffian for thepair-condensation wave function. This overlap is useful for nuclear structure calculations with the variational Monte Carlo method. As the hyper-Pfaffian has, however, only a few mathematical relations, it is quite difficult to use for numerical computations. We also find that a specific case of hyper-Pfaffian can be expressed by the sum of standard Pfaffians.

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.

scholarly journals mVMC—Open-source software for many-variable variational Monte Carlo method

2019 ◽  
Vol 235 ◽  
pp. 447-462 ◽  
Author(s):  
Takahiro Misawa ◽  
Satoshi Morita ◽  
Kazuyoshi Yoshimi ◽  
Mitsuaki Kawamura ◽  
Yuichi Motoyama ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Open Source ◽  
Open Source Software ◽  
Variational Monte Carlo ◽  
Variational Monte Carlo Method
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