Journal of Chemical Physics, Vol.102, No.20, 8078-8088, 1995
Relativistic Ab-Initio Model Potential Calculations Including Spin-Orbit Effects Through the Wood-Boring Hamiltonian
Keywords:EFFECTIVE CORE POTENTIALS;HARTREE-FOCK CALCULATIONS;TRANSITION-METAL ATOMS;ADJUSTED ABINITIO PSEUDOPOTENTIALS;MOLECULAR-STRUCTURE CALCULATIONS;MAIN GROUP ELEMENTS;VALENCE BASIS-SETS;ELECTRONIC-STRUCTURE;CONFIGURATION-INTERACTION;QUANTUM CALCULATIONS