Abstract
A method that enables the determination of quadratic response molecular properties of heterogeneously solvated molecules is presented. The method describes the situation where a solvated molecule is located on a metallic surface. It is demonstrated that the two-photon matrix elements and the frequency-dependent hyperpolarizabilities for a heterogeneously solvated CO molecule depend on the distance to the metal surface and the dielectric constant of the solvent.
| Original language | English |
|---|---|
| Pages (from-to) | 8185-8192 |
| Number of pages | 8 |
| Journal | Journal of Chemical Physics |
| Volume | 115 |
| Issue number | 17 |
| DOIs | |
| Publication status | Published - Nov 1 2001 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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Jørgensen, S., Ratner, M. A., & Mikkelsen, K. V. (2001). Nonlinear optical response of molecule in inhomogeneous solvation environment: A response theory formalism. Journal of Chemical Physics, 115(17), 8185-8192. https://doi.org/10.1063/1.1400127