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 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.