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 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
Nonlinear optical response of molecule in inhomogeneous solvation environment : A response theory formalism. / Jørgensen, Solvejg; Ratner, Mark A; Mikkelsen, Kurt V.
In: Journal of Chemical Physics, Vol. 115, No. 17, 01.11.2001, p. 8185-8192.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Nonlinear optical response of molecule in inhomogeneous solvation environment
T2 - A response theory formalism
AU - Jørgensen, Solvejg
AU - Ratner, Mark A
AU - Mikkelsen, Kurt V.
PY - 2001/11/1
Y1 - 2001/11/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0035504363&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035504363&partnerID=8YFLogxK
U2 - 10.1063/1.1400127
DO - 10.1063/1.1400127
M3 - Article
AN - SCOPUS:0035504363
VL - 115
SP - 8185
EP - 8192
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 17
ER -