Variational Quantum Monte Carlo Method: A pedagogical approach
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comunitat-uji-handle2:10234/71324
comunitat-uji-handle3:10234/98504
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Title
Variational Quantum Monte Carlo Method: A pedagogical approachAuthor (s)
Tutor/Supervisor; University.Department
Planelles, Josep; Sancho Llopis, Juan Vicente; Universitat Jaume I. Departament de Química Física i AnalíticaDate
2020-09-24Publisher
Universitat Jaume IAbstract
We present a report that describes the stochastic variational Monte Carlo method
underlying ideas and techniques, such as the Metropolis Algorithm in a multi-dimensional
space. We design Fortran codes that generates, ... [+]
We present a report that describes the stochastic variational Monte Carlo method
underlying ideas and techniques, such as the Metropolis Algorithm in a multi-dimensional
space. We design Fortran codes that generates, according to Metropolis, random
numbers with non-uniform density, to sample local energy and its squared. Then, we
compute energy and energy squared as the average of their local partners and, from
them, the variance. We enclose illustrative calculations on the Harmonic Oscillator,
Hydrogen atom and Helium atom ground states. [-]
Description
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2019/2020
Type
info:eu-repo/semantics/bachelorThesisRights
info:eu-repo/semantics/openAccess
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- Grau en Química [265]