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 |
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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 journal › Article
}
TY - JOUR
T1 - Cubic nonlinear optical response of a molecule in an inhomogeneous solvation environment
T2 - A response theory formalism
AU - Jørgensen, Solvejg
AU - Ratner, Mark A
AU - Mikkelsen, Kurt V.
PY - 2002/6/22
Y1 - 2002/6/22
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0038712616&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0038712616&partnerID=8YFLogxK
U2 - 10.1063/1.1469611
DO - 10.1063/1.1469611
M3 - Article
AN - SCOPUS:0038712616
VL - 116
SP - 10902
EP - 10908
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 24
ER -