Cubic nonlinear optical response of a molecule in an inhomogeneous solvation environment: A response theory formalism

Solvejg Jørgensen, Mark A. Ratner, Kurt V. Mikkelsen*

*Corresponding author for this work

Research output: Contribution to journalArticle

14 Scopus citations

Abstract

A response theory was used to study cubic nonlinear optical response of heterogeneously solvated molecules. The electronic structure of the molecular systems at uncorrelated and correlated electronic structure levels was analyzed. The bulk of the metal and the solvent were represented as dielectric media in equilibrium with molecular charge distribution. Results showed that the second-order hyperpolarizability tensor elements depended strongly on the solvent configuration.

Original languageEnglish (US)
Pages (from-to)10902-10908
Number of pages7
JournalJournal of Chemical Physics
Volume116
Issue number24
DOIs
StatePublished - Jun 22 2002

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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