Spectroscopic properties of open shell diatomic molecules using Piris natural orbital functionals-Reference-Cited by-同舟云学术

Spectroscopic properties of open shell diatomic molecules using Piris natural orbital functionals

Published:2021 Issue:4 Volume:23 Page:2953-2963
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Quintero-Monsebaiz Raúl¹²³⁴⁵,Perea-Ramírez Luis Ignacio¹²³⁴⁵,Piris Mario⁶⁷⁸⁹¹⁰^ORCID,Vela Alberto¹²³⁴⁵^ORCID

Affiliation:

1. Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional

2. Av Instituto Politécnico Nacional 2508

3. San Pedro Zacatenco

4. Gustavo A. Madero

5. 07360 Ciudad de México

6. Donostia International Physics Center (DIPC)

7. 20018 Donostia

8. Spain

9. Euskal Herriko Unibertsitatea (UPV/EHU)

10. PK 1072

Abstract

Spectroscopic properties of nine heteronuclear diatomic molecules using an interactive pair model (PNOF7s) that has been generalized for spin multiplet states and its second order perturbation variant, NOF-MP2, are reported.

Funder

Consejo Nacional de Ciencia y Tecnología

Eusko Jaurlaritza

Ministerio de Ciencia, Innovación y Universidades

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP05430E

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