Excited State Wave Functions, Excitation Energies, and Oscillator Strengths for
- 1 February 1959
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 113 (3) , 834-839
- https://doi.org/10.1103/physrev.113.834
Abstract
Solutions of the Hartree-Fock equations for the and terms of neon () have been obtained. Wave functions are tabulated and results of computations of excitation energies and oscillator strengths are presented. The former fall within 10% of experimental values. It is found that enlarging the size of the "invariant core" used to compute the excited state wave functions has only a small effect on the predicted energies. The predicted oscillator strength of the 736 A transition is 0.11, which is in reasonable agreement with available experimental data considering the large uncertainties in the measurements. The computed diamagnetic susceptibility of the ground state is -7.4× mole, in good agreement with experiment.
Keywords
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