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

Stephen Webber; Stuart A. Rice; Joshua Jortner

doi:10.1063/1.1726374

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

Stephen Webber^*, Stuart A. Rice, Joshua Jortner

^*Corresponding author for this work

The University of Chicago

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

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 language	English
Pages (from-to)	2911-2925
Number of pages	15
Journal	The Journal of Chemical Physics
Volume	41
Issue number	9
DOIs	https://doi.org/10.1063/1.1726374
State	Published - 1964
Externally published	Yes

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title = "Ion-pair exciton states and the optical spectrum of crystalline neon",

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.",

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year = "1964",

doi = "10.1063/1.1726374",

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AU - Webber, Stephen

AU - Rice, Stuart A.

AU - Jortner, Joshua

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N2 - 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.

AB - 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.

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JF - The Journal of Chemical Physics

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

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