Article ID Journal Published Year Pages File Type
5374747 Chemical Physics 2011 6 Pages PDF
Abstract
► The five lowest electronic states of Cao have been determined ab initio at a high level of accuracy. ► Large active space, core-valence correlation and configuration interaction are required. ► The multi-configurational nature of the electronic ground state is confirmed as well as its monovalent and divalent ionic nature using dipole moment analysis. ► These interacting potentials will serve for future obtention of spin-rovibronic levels.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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