A new method to analyze and understand molecular linear and nonlinear optical responses via field-induced functions: a straightforward alternative to sum-over-states (SOS) analysis-Reference-Cited by-同舟云学术

A new method to analyze and understand molecular linear and nonlinear optical responses via field-induced functions: a straightforward alternative to sum-over-states (SOS) analysis

Published:2019 Issue:11 Volume:21 Page:6274-6286
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Otero Nicolás¹²³^ORCID,Karamanis Panaghiotis⁴⁵⁶⁷⁸,Mandado Marcos¹²³^ORCID

Affiliation:

1. Department of Physical Chemistry, University of Vigo

2. 36310 Vigo

3. Spain

4. CNRS/UNIV Pau & Pays Adour

5. Institut Des Sciences Analytiques et de Physico-Chimie pour l'environnement et les Materiaux

6. Pau

7. France

8. Hélioparc Pau Pyrénées

Abstract

Using coupled-perturbed theory the same excited state/orbital analysis as the sum-over-states method may be performed.

Funder

Consellería de Cultura, Educación e Ordenación Universitaria, Xunta de Galicia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07362G

Reference38 articles.

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

5. A. D. Buckingham , Permanent and Induced Molecular Moments and Long-Range Intermolecular Forces , in Advances in Chemical Physics , ed. J. O. Hirschfelder , John Wiley & Sons, Inc. , 2007 , pp. 107–142

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