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About Monte Carlo Método de
This document describes continuum variational and diffusion quantum Monte Carlo (QMC) methods for calculating quantum mechanical expectation values with many-body Hamiltonians and wave functions. Variational Monte Carlo (VMC) uses a trial wave function to calculate an upper bound on the ground state energy. Diffusion Monte Carlo (DMC) improves this estimate by evolving the wave function in imaginary time. These stochastic methods scale polynomially with system size, allowing calculations on hundreds to thousands of particles. The bulk of the document discusses the algorithms, wave function forms, periodic boundary conditions, pseudopotentials, excited states, error sources, and calculating energy differences and forces.
Detailed Information
| Author: | ['C Daniel Rojas R'] |
|---|---|
| Publication Year: | 2019 |
| Pages: | 30 |
| Language: | English |
| Format: | |
| Price: | FREE |
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