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 | |
| Publication status | Published - Jun 22 2002 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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Jørgensen, S., Ratner, M. A., & Mikkelsen, K. V. (2002). Cubic nonlinear optical response of a molecule in an inhomogeneous solvation environment: A response theory formalism. Journal of Chemical Physics, 116(24), 10902-10908. https://doi.org/10.1063/1.1469611