Abstract
Matrix elements for interelectronic repulsion, including differential orbital expansion, have been calculated for d3 complexes with tetragonal symmetry. The expansion parameter e influences the overall positions of the five components of the 2Eg and 2T1g states and the separation between 2Eg and 2T1g, but is relatively unimportant with respect to the splittings within those states.
Received: 1982-5-27
Published Online: 2014-6-2
Published in Print: 1982-9-1
© 1946 – 2014: Verlag der Zeitschrift für Naturforschung
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.