Current Developments in the Relativistic Quantum Mechanics of Atoms and Molecules

Abstract

Current work in relativistic quantum mechanics by the author and his associates focusses on four topics: atomic structure theory using the GRASP package (Dyall 1986); extension of GRASP to handle electron continuum processes; the relation of quantum electrodynamics and relativistic quantum mechanics of atoms and molecules; and development of methods using finite basis set expansions for studying electronic structure of atoms and molecules. This paper covers only the last three topics, giving emphasis to growing points and outstanding difficulties.