Why local and non-local terms are essential for second harmonic generation simulation?-Reference-Cited by-同舟云学术

Why local and non-local terms are essential for second harmonic generation simulation?

Published:2022 Issue:21 Volume:24 Page:12961-12973
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Foucaud Yann¹^ORCID,Dufrêche Jean-François¹^ORCID,Siboulet Bertrand¹,Duvail Magali¹,Jonchère Alban¹,Diat Olivier¹,Vuilleumier Rodolphe²^ORCID

Affiliation:

1. ICSM, Univ Montpellier, CEA, CNRS, ENSCM, Marcoule, France

2. PASTEUR, Département de Chimie, Ecole normale supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France

Abstract

Both local and non-local effects are crucial to simulate the second harmonic generation signal using an ad-hoc method based on the hyperpolarisability: the chemical environment of the molecules and the quadrupolar contribution must be considered.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05437F

Reference95 articles.

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