scholarly journals Stochastic Effective Core Potentials, toward Efficient Quantum Monte Carlo Simulations of Molecules with Large Atomic Numbers

2021 ◽  
Vol 17 (3) ◽  
pp. 1380-1389
Author(s):  
Jonas Feldt ◽  
Roland Assaraf
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Quantum Monte Carlo ◽  
Quantum Monte Carlo Simulations ◽  
Effective Core Potentials

scholarly journals Understanding Quantum Tunneling through Quantum Monte Carlo Simulations

2016 ◽  
Vol 117 (18) ◽  
Author(s):  
Sergei V. Isakov ◽  
Guglielmo Mazzola ◽  
Vadim N. Smelyanskiy ◽  
Zhang Jiang ◽  
Sergio Boixo ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Quantum Monte Carlo ◽  
Quantum Tunneling ◽  
Quantum Monte Carlo Simulations

MATHEMATICAL BASIS OF COMPUTATIONAL PHYSICS

1996 ◽  
Vol 07 (03) ◽  
pp. 355-359 ◽  
Author(s):  
M. SUZUKI
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Quantum Monte Carlo ◽  
Computational Physics ◽  
Numerical Calculations ◽  
Symplectic Integration ◽  
Mathematical Basis ◽  
Small Parameters ◽  
Quantum Monte Carlo Simulations

The present paper explains some general basic formulas concerning quantum Monte Carlo simulations, symplectic integration and other numerical calculations. A generalization of the BCH formula is given with an application to the decomposition of exponential operators in the presence of small parameters.

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