The Accuracy of the Pseudopotential Approximation .1. An Analysis of the Spectroscopic Constants for the Electronic Ground-States of InCl and Incl3 Using Various 3 Valence Electron Pseudopotentials for Indium

Schwerdtfeger P; Fischer T; Dolg M; Igelmann G; Nicklass A; Stoll H; Haaland A

Journal of Chemical Physics, Vol.102, No.5, 2050-2062, 1995

Schwerdtfeger P, Fischer T, Dolg M, Igelmann G, Nicklass A, Stoll H, Haaland A

Keywords:SPIN-ORBIT OPERATORS;RELATIVISTIC EFFECTIVE POTENTIALS;QUADRATIC-CONFIGURATION-INTERACTION;COUPLED-CLUSTER APPROACH;MAIN-GROUP ELEMENTS;CORE POLARIZATION POTENTIALS;TRANSITION-METAL ELEMENTS;HARTREE-FOCK CALCULATIONS;ALKALINE-EARTH ATOMS;MOLECULAR CALCULATIONS