Partition of optical properties into orbital contributions-Reference-Cited by-同舟云学术

Partition of optical properties into orbital contributions

Published:2019 Issue:28 Volume:21 Page:15380-15391
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sitkiewicz Sebastian P.¹²³⁴⁵^ORCID,Rodríguez-Mayorga Mauricio¹²³⁴⁵^ORCID,Luis Josep M.⁶⁷⁸⁹⁴^ORCID,Matito Eduard⁵¹⁰⁴¹¹¹²^ORCID

Affiliation:

1. Kimika Fakultatea

2. Euskal Herriko Unibertsitatea (UPV/EHU)

3. 20080 Donostia

4. Spain

5. Donostia International Physics Center (DIPC)

6. Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química

7. Universitat de Girona

8. C/Maria Aurèlia Capmany, 69

9. 17003 Girona

10. Donostia

11. Ikerbasque Foundation for Science

12. 48011 Bilbao

Abstract

A new tool to analyze the response property through the partition of nonlinear optical properties in terms of orbital contributions (PNOC), valuable in the assessment of the electronic structure methods in the NLOPs computations, is presented.

Funder

Ikerbasque, Basque Foundation for Science

Secretaría de Estado de Investigación, Desarrollo e Innovación

Eusko Jaurlaritza

Departament d'Innovació, Universitats i Empresa, Generalitat de Catalunya

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/C9CP02662B

Reference64 articles.

1. Generation of Optical Harmonics

2. Peter Alden Franken

3. Hyperpolarizabilities of the nitroanilines and their relations to the excited state dipole moment

4. Recent Developments in Perturbation Theory

5. Missing-state analysis: A method for determining the origin of molecular nonlinear optical properties

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Corrigendum: Coupled cluster theory on modern heterogeneous supercomputers;Frontiers in Chemistry;2023-08-15

2. Coupled cluster theory on modern heterogeneous supercomputers;Frontiers in Chemistry;2023-06-14

3. Nonlinear optical properties of poly (vinyl alcohol) thin films doped with in-situ WSe2/rGO composite;Optics & Laser Technology;2021-10

4. Impact of van der Waals interactions on the structural and nonlinear optical properties of azobenzene switches;Physical Chemistry Chemical Physics;2021

5. Aromaticity descriptors based on electron delocalization;Aromaticity;2021