Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule

Description

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.

Dataset file

PECs_345sSigma+_LiCs.txt

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Details

Year of publication:

2013

Verification date:

2020-12-17

Dataset language:

English

Fields of science:

physical sciences (Natural sciences)

DOI:

10.34808/bvx6-xs32

Verified by:

Gdańsk University of Technology

Keywords

References

publication The 41Σ+ electronic state of LiCs molecule

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