Variational Quantum Monte Carlo Method: A pedagogical approach
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Mostrar el registro completo del ítemcomunitat-uji-handle:10234/158176
comunitat-uji-handle2:10234/71324
comunitat-uji-handle3:10234/98504
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Título
Variational Quantum Monte Carlo Method: A pedagogical approachAutoría
Tutor/Supervisor; Universidad.Departamento
Planelles, Josep; Sancho Llopis, Juan Vicente; Universitat Jaume I. Departament de Química Física i AnalíticaFecha de publicación
2020-09-24Editor
Universitat Jaume IResumen
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. [-]
Palabras clave / Materias
Descripción
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2019/2020
Tipo de documento
info:eu-repo/semantics/bachelorThesisDerechos de acceso
info:eu-repo/semantics/openAccess
Aparece en las colecciones
- Grau en Química [265]