Qiang Chang, Russell M. Pitzer
Abstract
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Ab initio spin-orbit configuration interaction calculations are performed on the UO2 molecule, which has been observed in matrix isolation and visible-ultraviolet spectroscopic studies.UO2 is isoelectronic with which has a 5ƒδ15ƒφ1 3H4g ground state.We
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Ab initio spin-orbit configuration interaction calculations are performed on the UO2 molecule, which has been observed in matrix isolation and visible-ultraviolet spectroscopic studies.UO2 is isoelectronic with which has a 5ƒδ15ƒφ1 3H4g ground state.We
Key concepts: Ab initio, Ab initio quantum chemistry methods, Chemistry, Computational chemistry, Molecule, Organic chemistry