Cubic optical response of molecules in a nonequilibrium and equilibrium solvation model

Kristian O. Sylvester-Hvid; Kurt V. Mikkelsen; Dan Jonsson; Patrick Norman; Hans Ågren

doi:10.1021/jp983271t

Cubic optical response of molecules in a nonequilibrium and equilibrium solvation model

Kristian O. Sylvester-Hvid
, Kurt V. Mikkelsen^*
, Dan Jonsson
, Patrick Norman
, Hans Ågren

^*Corresponding author for this work

Aarhus University
University of Copenhagen
Linköping University

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Abstract

The cubic response equations governing nonequilibrium and equilibrium solvation in the continuum approach are derived and implemented. We consider solvent effects on the frequency dependent second hyperpolarizability. We illustrate the effects of optical and static dielectric constants through sample calculations on H₂O and H₂CO.

Original language	English
Pages (from-to)	8375-8383
Number of pages	9
Journal	Journal of Physical Chemistry A
Volume	103
Issue number	42
DOIs	https://doi.org/10.1021/jp983271t
State	Published - 21 Oct 1999
Externally published	Yes

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@article{01f21bbdd6fd4088a1cabb0edc181e08,

title = "Cubic optical response of molecules in a nonequilibrium and equilibrium solvation model",

abstract = "The cubic response equations governing nonequilibrium and equilibrium solvation in the continuum approach are derived and implemented. We consider solvent effects on the frequency dependent second hyperpolarizability. We illustrate the effects of optical and static dielectric constants through sample calculations on H2O and H2CO.",

author = "Sylvester-Hvid, \{Kristian O.\} and Mikkelsen, \{Kurt V.\} and Dan Jonsson and Patrick Norman and Hans {\AA}gren",

year = "1999",

month = oct,

day = "21",

doi = "10.1021/jp983271t",

language = "英语",

volume = "103",

pages = "8375--8383",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Cubic optical response of molecules in a nonequilibrium and equilibrium solvation model

AU - Sylvester-Hvid, Kristian O.

AU - Mikkelsen, Kurt V.

AU - Jonsson, Dan

AU - Norman, Patrick

AU - Ågren, Hans

PY - 1999/10/21

Y1 - 1999/10/21

N2 - The cubic response equations governing nonequilibrium and equilibrium solvation in the continuum approach are derived and implemented. We consider solvent effects on the frequency dependent second hyperpolarizability. We illustrate the effects of optical and static dielectric constants through sample calculations on H2O and H2CO.

AB - The cubic response equations governing nonequilibrium and equilibrium solvation in the continuum approach are derived and implemented. We consider solvent effects on the frequency dependent second hyperpolarizability. We illustrate the effects of optical and static dielectric constants through sample calculations on H2O and H2CO.

UR - https://www.scopus.com/pages/publications/0001614707

U2 - 10.1021/jp983271t

DO - 10.1021/jp983271t

M3 - 文章

AN - SCOPUS:0001614707

SN - 1089-5639

VL - 103

SP - 8375

EP - 8383

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 42

ER -

Cubic optical response of molecules in a nonequilibrium and equilibrium solvation model

Abstract

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