Lattice relaxation model of the <i>n</i>=1 exciton emission in solid Ne

The emission of pure solid Ne is mostly due to atomically trapped n=1 excitons. Using the ab initio repulsive potentials of the molecular excited states and the long-range vander Waals interactions the isotropic cavity formed around an isolated Ne* atom is calculated. The lattice relaxation is extended out to the 16th shell. The static and dynamical shifts obtained in this localized description are found to be in good agreement with experimental data.

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