Journal of Chemical Physics, Vol.102, No.22, 8942-8952, 1995
Ab-Initio Energy-Adjusted Pseudopotentials for the Noble-Gases Ne Through Xe - Calculation of Atomic Dipole and Quadrupole Polarizabilities
Keywords:RELATIVISTIC EFFECTIVE POTENTIALS;EFFECTIVE CORE POTENTIALS;SPIN-ORBIT OPERATORS;CONFIGURATION-INTERACTION CALCULATIONS;CORRELATED MOLECULAR CALCULATIONS;ELECTRONIC-STRUCTURE CALCULATIONS;COMPACT EFFECTIVE POTENTIALS;ALKALINE-EARTH ATOMS;EXPONENT BASIS-SETS;GAUSSIAN-BASIS SETS