Second-Order ab Initio Møller−Plesset Study of Optimum Chain Length for Total (Electronic Plus Vibrational) β(−ωσ;ω1,ω2) of a Prototype Push-Pull Polyene-Reference-Cited by-同舟云学术

Second-Order ab Initio Møller−Plesset Study of Optimum Chain Length for Total (Electronic Plus Vibrational) β(−ωσ;ω1,ω2) of a Prototype Push-Pull Polyene

Published:2001-10-01 Issue:42 Volume:105 Page:9748-9755
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Jacquemin Denis¹,Champagne Benoît¹,Perpète Eric A.¹,Luis Josep M.¹,Kirtman Bernard¹

Affiliation:

1. Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, 5000 Namur, Belgium, Department of Chemistry and Biochemistry, University of California, Santa Barbara, California, and Institute of Computational Chemistry and Department of Chemistry, University of Girona, Campus de Montilivi, 17071 Girona, Catalonia, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp011318w

Reference65 articles.

1. Nonlinear Optical Properties of Proteins Measured by Hyper-Rayleigh Scattering in Solution

2. Design and construction of molecular assemblies with large second-order optical nonlinearities. Quantum chemical aspects

3. Electric Field Modulated Nonlinear Optical Properties of Donor-Acceptor Polyenes: Sum-Over-States Investigation of the Relationship between Molecular Polarizabilities (.alpha., .beta., and .gamma.) and Bond Length Alternation

4. Rational Design of Molecules with Large Hyperpolarizabilities. Electric Field, Solvent Polarity, and Bond Length Alternation Effects on Merocyanine Dye Linear and Nonlinear Optical Properties

5. A Novel and Perfectly Aligned Highly Electro−Optic Organic Cocrystal of a Merocyanine Dye and 2,4-Dihydroxybenzaldehyde

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