Řešení problému vlastních čísel s aplikacemi v molekulove dynamice

Abstract

The thesis deals with eigenvalue and eigenvector problems mainly of the Hermitian matrices and real symetric matrices. It contains an introduction to the theory of eigenvalues and eigenvectors. The main part of the text describes several methods of their search and includes an implementation of them in Matlab. After that, these methods are compared, and suitability of their usage is discused. Finally, two areas, where eigenvalue problems occure, are explained. These are mechanical vibrations and molecular dynamics. In most chapters there are given examples which serve for better understanding of the issue.