Adiabatic potential energy curves of the 3, 4, and 5^1Σ^+ excited states have been calculated for the LiCs molecule. The results of three excited states of the symmetry Σ^+ have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Presented potentials are ready to compare with the results of other theoretical and experimental studies.
The dataset is arranged in four columns. In the first column are included distances in Bohr radius units (a_0) between Lithium and Cesium atoms. The consecutive three columns contain potential energies of interaction between Li and Cs atoms calculated for corresponding distances. Energies are shown in inverse centimeters units.
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- 10.34808/bvx6-xs32 open in new tab
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- Gdańsk University of Technology
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