Analytical Treatments for Magnetic Multipole Moment Integrals

Abstract

This work presents a new method for the analytical evaluation of magnetic multipole moment integrals (MMMIs) using Slater type orbitals (STOs), the Fourier transform method and some translation equations. These integrals are one type of the molecular integrals and their solutions are important for better understanding of properties of molecular structure. In this work, magnetic multipole moment operators are translated to another atomic center and the x-, y-, and z- components of MMMIs are obtained in terms of overlap integrals. Moreover, by using ladder operators, the matrix representations and commutation relations of magnetic dipole moment operators have been obtained successfully.