Application of Quantum Chemistry to Atmospheric Chemistry.
Annual rept. 1 Oct 81-30 Sep 82,
NATIONAL BUREAU OF STANDARDS WASHINGTON DC QUANTUM CHEMISTRY GROUP
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Relativistic effective potentials have been used to calculate the electronic structure and spectroscopic properties of UO. The excitation energies of the excited states of UO were calculated using a restricted valence configuration interaction. Strong radiative transitions are predicted in the red part of the visible. These transitions are predominately atomic-like f to d.
- Atomic and Molecular Physics and Spectroscopy
- Quantum Theory and Relativity