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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Títol
Variational Quantum Monte Carlo Method: A pedagogical approachAutoria
Tutor/Supervisor; Universitat.Departament
Planelles, Josep; Sancho Llopis, Juan Vicente; Universitat Jaume I. Departament de Química Física i AnalíticaData de publicació
2020-09-24Editor
Universitat Jaume IResum
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. [-]
Paraules clau / Matèries
Descripció
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2019/2020
Tipus de document
info:eu-repo/semantics/bachelorThesisDrets d'accés
info:eu-repo/semantics/openAccess
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- Grau en Química [265]