Ab initio methods in quantum chemistry

Abstract

Matrix Formulated Direct MCSCF and MCSCF CI Methods The MCSCF Method Propagator Methods Analytical Derivative Methods in Quantum Chemistry Symmetry and Degeneracy in X and Density Functional Theory Modern Valence Bond Theory The Complete Active Space (CAS) SCF Method and its Applications in Electronic Structure Calculations Transition Metal Atoms and Dimers Weakly Bonded Systems.