On the dynamic response of impure molecular crystals

Raphael D. Levine

doi:10.1002/qua.560010679

On the dynamic response of impure molecular crystals

Raphael D. Levine^*

^*Corresponding author for this work

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

3 Scopus citations

Abstract

The total wave function of an impure molecular crystal is resolved, using the partitioning technique, into two components, one restricted to the host lattice and one which describes the interaction between the isolated impurities and the host. The two components differ by a phase which can be a rapidly varying function of the energy. Typical interference effects can thus be demonstrated when the linear response to an external perturbation is observed. A model of a one‐dimensional linear chain is considered and explicit results are obtained using an integral Hellmann‐Feynman theorem for two potentials.

Original language	English
Pages (from-to)	727-744
Number of pages	18
Journal	International Journal of Quantum Chemistry
Volume	1
Issue number	1 S
DOIs	https://doi.org/10.1002/qua.560010679
State	Published - 1967
Externally published	Yes

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title = "On the dynamic response of impure molecular crystals",

abstract = "The total wave function of an impure molecular crystal is resolved, using the partitioning technique, into two components, one restricted to the host lattice and one which describes the interaction between the isolated impurities and the host. The two components differ by a phase which can be a rapidly varying function of the energy. Typical interference effects can thus be demonstrated when the linear response to an external perturbation is observed. A model of a one‐dimensional linear chain is considered and explicit results are obtained using an integral Hellmann‐Feynman theorem for two potentials.",

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AB - The total wave function of an impure molecular crystal is resolved, using the partitioning technique, into two components, one restricted to the host lattice and one which describes the interaction between the isolated impurities and the host. The two components differ by a phase which can be a rapidly varying function of the energy. Typical interference effects can thus be demonstrated when the linear response to an external perturbation is observed. A model of a one‐dimensional linear chain is considered and explicit results are obtained using an integral Hellmann‐Feynman theorem for two potentials.

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On the dynamic response of impure molecular crystals

Abstract

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