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Date of Award
Master of Science (M.S.)
Carl E. Wulfman
First Committee Member
Neil L. Lack
Second Committee Member
J. F. Rodriguez
Third Committee Member
Bruce W. Shore
A group theoretic approach to Layzer's 1/2 expansion method is explored. In part this builds on earlier work of Wulfman(2), of Moshinsky et al(l4), and of Sinanoglu, Herrick(lS), and Kellman (16) on second row atoms.
I investigate atoms with electrons in the 3s-3p-3d shell and find:
1. Wulfman's constant of motion accurately predicts configuration mixing for systems with two to eight electrons in the 3s-3p subshell.
2. The same constant of motion accurately predicts configuration mixing for systems with two electrons in the 3s-3p-3d shell.
3. It accurately predicts configuration mixing in systems of high angular momentum L and of high spin angular momentum S containing three electrons in the 3s-3p-3d shell, but gives less accurate results when L and S are both small.
I also show how effective nuclear charges may be calculated by a group theoretical approach. In addition I explore several new methods for expressing electron repulsion operators in terms of operators of the 80(4,2) dynamical group of one - electron atoms.
Ho, Yanfang. (1985). Group theoretical analysis of in-shell interaction in atoms. University of the Pacific, Thesis. https://scholarlycommons.pacific.edu/uop_etds/487