Time-dependent Hartree-Fock calculations of surface-enhanced Raman intensities. H2 adsorbed on a model Li cluster

Prabhat K.K. Pandey; George C. Schatz

doi:10.1016/0009-2614(82)83366-6

Time-dependent Hartree-Fock calculations of surface-enhanced Raman intensities. H₂ adsorbed on a model Li cluster

Prabhat K.K. Pandey, George C. Schatz

Northwestern University

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

22 Citations (Scopus)

Abstract

Time-dependent Hartree-Fock theory is used to calculate frequency-dependent polarizability derivatives for H₂ adsorbed on a model lithium cluster. The results indicate large enhancements in Raman intensity when H₂ is close to its equilibrium adsorption distance.

Original language	English
Pages (from-to)	193-197
Number of pages	5
Journal	Chemical Physics Letters
Volume	88
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(82)83366-6
Publication status	Published - Apr 30 1982

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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title = "Time-dependent Hartree-Fock calculations of surface-enhanced Raman intensities. H2 adsorbed on a model Li cluster",

abstract = "Time-dependent Hartree-Fock theory is used to calculate frequency-dependent polarizability derivatives for H2 adsorbed on a model lithium cluster. The results indicate large enhancements in Raman intensity when H2 is close to its equilibrium adsorption distance.",

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AB - Time-dependent Hartree-Fock theory is used to calculate frequency-dependent polarizability derivatives for H2 adsorbed on a model lithium cluster. The results indicate large enhancements in Raman intensity when H2 is close to its equilibrium adsorption distance.

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