An Update to Isomers of Rydberg Excitations in Argon Clusters
The effect of Diabatisation is reported in the excited argon isomers using the Diatomic-In-Molecules (DIM) method. In previous work using DIM, the lowest energy isomers of Ar$_N^*$ were shown as Ar$_3^*-$Ar$_{N-3}$, however, using the Hole-Particle-Psedopotential (HPP) method, it was shown that the...
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Zusammenfassung: | The effect of Diabatisation is reported in the excited argon isomers using
the Diatomic-In-Molecules (DIM) method. In previous work using DIM, the lowest
energy isomers of Ar$_N^*$ were shown as Ar$_3^*-$Ar$_{N-3}$, however, using
the Hole-Particle-Psedopotential (HPP) method, it was shown that the excitation
is localised over dimer not trimer; Ar$_2^*-$Ar$_{N-2}$. In this work we
improve the DIM calculations by including previously ignored strongly avoided
crossing between 3p4s and 3p4p $^{1,3}\Sigma$ states. |
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DOI: | 10.48550/arxiv.2409.06484 |