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

Solvejg Jørgensen, Mark A Ratner, Kurt V. Mikkelsen

Research output: Contribution to journalArticle

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

Fingerprint

Solvation
Electronic structure
solvation
formalism
electronic structure
Molecules
Charge distribution
charge distribution
Tensors
molecules
Metals
tensors
configurations
metals

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Cubic nonlinear optical response of a molecule in an inhomogeneous solvation environment : A response theory formalism. / Jørgensen, Solvejg; Ratner, Mark A; Mikkelsen, Kurt V.

In: Journal of Chemical Physics, Vol. 116, No. 24, 22.06.2002, p. 10902-10908.

Research output: Contribution to journalArticle

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