Potential energy curves of NaRb dimer

Description

This data presents potential energy curves of NaRb dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Core polarization potentials and MRCI method is used to describe electron correlation. Dataset consists of 18 potential energy curves of ground and excited states of Sigma (5 triplet and 5 singlet states), Pi (3 triplet and 3 singlet states) and Delta (one triplet and one singlet state) symmetries.

Dataset file

NaRb_pec.zip

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Details

Year of publication:

2015

Verification date:

2020-12-17

Dataset language:

English

Fields of science:

physical sciences (Natural sciences)

DOI:

10.34808/t0yk-w861

Verified by:

Gdańsk University of Technology

Keywords

References

publication The adiabatic potentials of low-lying electronic states of the NaRb molecule

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