Home-made gaussian

Abstract

This project consists in a exploration about some aspects in quantum chemistry and how it can use an approximated method to give solution to some quantum models without analytical solution. To begin with, the reader will be able to know the basis and the background of a Gaussian-software quantum resolution method in this project The reader will also be able to deepen in one of the methods of algebraic resolution with most elegant mono electronic systems used in quantum mechanics, called factorization method. Therefore, one of the main objectives in this project is also to get acquainted with some of the basic research methods in chemistry as well as to learn to have a critical view. In general, this project consist in creating a computer programme based on Gaussians and variational principle in order to give solution to some quantum systems