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

Solvejg Jørgensen; Mark A. Ratner; Kurt V. Mikkelsen

doi:10.1063/1.1469611

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

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

Northwestern University

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

14 Citations (Scopus)

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 language	English
Pages (from-to)	10902-10908
Number of pages	7
Journal	Journal of Chemical Physics
Volume	116
Issue number	24
DOIs	https://doi.org/10.1063/1.1469611
Publication status	Published - Jun 22 2002

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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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.",

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