Relativistic Quantum Theory of Atoms and Molecules: Theory and Computation

Abstract

Relativistic quantum electrodynamics provides the basis for modeling the electronic structure of atoms, molecules and solids and their interactions with photons and projectiles. This book describes the GRASP relativistic atomic structure program, the DARC electron-atom scattering code, and the BERTHA relativistic molecular structure program. Front Matter; Relativity in atomic and molecular physics; Relativistic wave equations for free particles; The Dirac Equation; Quantum electrodynamics; Analysis and approximation of Dirac Hamiltonians; Complex atoms; Computation of atomic structures; Computation of atomic properties; Continuum processes in many-electron atoms; Molecular structure methods; Relativistic calculation of molecular properties; Frequently used formulae and data; Supplementary mathematics; Back Matter.