Journal of Chemical Physics, Vol.102, No.5, 2024-2031, 1995
Relativistic and Correlation-Effects in Cuh, Agh, and Auh - Comparison of Various Relativistic Methods
Keywords:SPIN-ORBIT OPERATORS;TRANSITION-METAL HYDRIDES;EFFECTIVE CORE POTENTIALS;HARTREE-FOCK CALCULATIONS;GTO WAVE-FUNCTIONS;BASIS SET QUALITY;ALL-ELECTRON;MOLECULAR CALCULATIONS;CONFIGURATION-INTERACTION;DIPOLE-MOMENT