Stochastické metody řešení stacionární Schrödingerovy rovnice

Abstract

The content of this work is creation of a program package that employs variational Monte Carlo methods to solve the stationary Schrödinger equation for the ground state of many particle systems. Program is written in Fortran 95 and has a modular structure that guarantees future extensions and applicability in quantum many-particle systems. Calculations are carried out for uncharged clusters of helium and argon a compared with literature. Consecutively, charged clusters are discused and it is shown for them that three and higher many-body terms are needed in trial wave functions to follow the anisotropy of intra-cluster interacktions. Theoretical part of this work is dedicated to mathematical and physical grounds that entitle the usage of quantum Monte Carlo methods to solve the stacionary Schrödinger equation.