Object Oriented Approach to the Algebraic Theory of Molecules

POSTER

Abstract

Lie algebra is used to generate the quantum states of a molecule. A molecular Hamiltonian class is constructed by u(2) algebra class instances. Then a general total molecular state class is built with the Hamiltonian instances. Methods are used in the construction of normal and local modes of a given molecule with direct products of single algebra instances. Other methods are then used to raise and lower the stretching, rotational and bending quantum states of molecular instances. A clear example is then calculated for a tetrahedral molecule from the ground state gaining quanta in different forms.

Authors

  • Tim Wendler

    Brigham Young University

  • Jean-Francois Van Huele

    Brigham Young University