Ion-pair exciton states and the optical spectrum of crystalline neon

Stephen Webber*, Stuart A. Rice, Joshua Jortner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The energy of the first electronic transition in crystalline neon has been calculated in the Heitler-London scheme. The calculation differs from previous work in that the effects of ionized exciton states are formulated as charge transfer states in which the excited electron resides on neighboring neons while the (1s)2(2s)2(2p5) hole remains on the central neon. Only the Γ(k = 0) point in k space is considered, and spin-orbit coupling is neglected. When correction is made for the nonstationary character of an exciton in solids, the predicted blue shift of 0.25 eV seems to be in reasonable agreement with the trend of spectral shifts of other rare-gas solids.

Original languageEnglish
Pages (from-to)2911-2925
Number of pages15
JournalThe Journal of Chemical Physics
Volume41
Issue number9
DOIs
StatePublished - 1964
Externally publishedYes

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