Experimental and theoretical investigations of reference molecules for nonlinear optics: The example of acetonitrile

E. Bogdan; V. Rodriguez; F. Castet; L. Ducasse; A. Plaquet; B. Champagne

doi:10.1063/1.4771757

Experimental and theoretical investigations of reference molecules for nonlinear optics: The example of acetonitrile

E. Bogdan, V. Rodriguez, F. Castet, L. Ducasse, A. Plaquet, B. Champagne

Research output: Contribution in Book/Catalog/Report/Conference proceeding › Conference contribution

1 Downloads (Pure)

Abstract

We present a joint experimental and quantum chemical investigation on the first hyperpolarizability of the acetonitrile molecule, which is used as an external reference in Hyper-Rayleigh scattering (HRS) experiments. The measured HRS response is compared with calculations using the Finite Field (FF) procedure in combination with the Hartree-Fock and MP2 methods. Solvent effects are accounted for by using the Polarizable Continuum Model, while frequency dispersion effects are included by using a multiplicative correction scheme.

Original language	English
Title of host publication	AIP Conference Proceedings
Pages	555-558
Number of pages	4
Volume	1504
DOIs	https://doi.org/10.1063/1.4771757
Publication status	Published - 1 Jan 2012

Access to Document

10.1063/1.4771757

Cite this

@inproceedings{10e0a3e92e304bb38d1734e70bcae6a9,

title = "Experimental and theoretical investigations of reference molecules for nonlinear optics: The example of acetonitrile",

abstract = "We present a joint experimental and quantum chemical investigation on the first hyperpolarizability of the acetonitrile molecule, which is used as an external reference in Hyper-Rayleigh scattering (HRS) experiments. The measured HRS response is compared with calculations using the Finite Field (FF) procedure in combination with the Hartree-Fock and MP2 methods. Solvent effects are accounted for by using the Polarizable Continuum Model, while frequency dispersion effects are included by using a multiplicative correction scheme.",

author = "E. Bogdan and V. Rodriguez and F. Castet and L. Ducasse and A. Plaquet and B. Champagne",

year = "2012",

month = jan,

day = "1",

doi = "10.1063/1.4771757",

language = "English",

isbn = "9780735411227",

volume = "1504",

pages = "555--558",

booktitle = "AIP Conference Proceedings",

}

TY - GEN

T1 - Experimental and theoretical investigations of reference molecules for nonlinear optics

T2 - The example of acetonitrile

AU - Bogdan, E.

AU - Rodriguez, V.

AU - Castet, F.

AU - Ducasse, L.

AU - Plaquet, A.

AU - Champagne, B.

PY - 2012/1/1

Y1 - 2012/1/1

N2 - We present a joint experimental and quantum chemical investigation on the first hyperpolarizability of the acetonitrile molecule, which is used as an external reference in Hyper-Rayleigh scattering (HRS) experiments. The measured HRS response is compared with calculations using the Finite Field (FF) procedure in combination with the Hartree-Fock and MP2 methods. Solvent effects are accounted for by using the Polarizable Continuum Model, while frequency dispersion effects are included by using a multiplicative correction scheme.

AB - We present a joint experimental and quantum chemical investigation on the first hyperpolarizability of the acetonitrile molecule, which is used as an external reference in Hyper-Rayleigh scattering (HRS) experiments. The measured HRS response is compared with calculations using the Finite Field (FF) procedure in combination with the Hartree-Fock and MP2 methods. Solvent effects are accounted for by using the Polarizable Continuum Model, while frequency dispersion effects are included by using a multiplicative correction scheme.

UR - http://www.scopus.com/inward/record.url?scp=84873198306&partnerID=8YFLogxK

U2 - 10.1063/1.4771757

DO - 10.1063/1.4771757

M3 - Conference contribution

AN - SCOPUS:84873198306

SN - 9780735411227

VL - 1504

SP - 555

EP - 558

BT - AIP Conference Proceedings

ER -

Experimental and theoretical investigations of reference molecules for nonlinear optics: The example of acetonitrile

Abstract

Access to Document

Other files and links

Embargoed Document

Fingerprint

High Performance Computing Technology Platform

Cite this

Experimental and theoretical investigations of reference molecules for nonlinear optics: The example of acetonitrile

Abstract

Access to Document

Other files and links

Embargoed Document

Fingerprint

Equipment

High Performance Computing Technology Platform

Cite this