Article ID Journal Published Year Pages File Type
5377175 Chemical Physics 2006 11 Pages PDF
Abstract
We report adiabatic potential energy curves of the lithium dimer. Our curves are tabulated according to internuclear distance from 3.2a0 to 88a0. We compare our theoretical results with the ones calculated by other authors and potential energy curves derived from experiments. In our approach we use the configuration interaction method where only the valence electrons of Li atom are treated explicitly. The core electrons are represented by pseudopotential. All calculations are performed by means of MOLPRO program package.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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