Variational Quantum Monte Carlo - Maple Application Center
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Variational Quantum Monte Carlo

: Zhuoxun Jiang
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The many electron system is one that quantum mechanics have no exact solution for because of the correlation between each electron with every other electron. Many methods have been developed to account for this correlation. One family of methods known as quantum Monte Carlo methods takes a numerical approach to solving the many-body problem. By employing a stochastic process to estimate the energy of a system, this method can be used to calculate the ground state energy of a system using the variational principle. The core of this method involves choosing an ansatz with a set of variational parameters that can be optimized to minimize the energy of the system. Recent research in this field is focused on developing methods to faster and more efficiently optimize this trial ansatz and also to make the ansatz more flexible by allowing more parameters. These topics along with the theory behind variational Monte Carlo (VMC) will be the subject of this Maple worksheet. This worksheet uses the Maple Quantum Chemistry Toolbox.

Application Details

Publish Date: March 16, 2020
Created In: Maple 2019
Language: English

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