Long-range potentials and dipole moments of the CO electronic states converging to the ground dissociation limit-Reference-Cited by-同舟云学术

Long-range potentials and dipole moments of the CO electronic states converging to the ground dissociation limit

Published:2020 Issue:21 Volume:22 Page:12058-12067
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ushakov Vladimir G.¹²³⁴^ORCID,Meshkov Vladimir V.⁵⁶⁷⁴^ORCID,Ermilov Aleksander Yu.⁵⁶⁷⁴,Stolyarov Andrey V.⁵⁶⁷⁴^ORCID,Gordon Iouli E.⁸⁹¹⁰¹¹^ORCID,Medvedev Emile S.¹²³⁴^ORCID

Affiliation:

1. The Institute of Problems of Chemical Physics

2. Russian Academy of Sciences

3. 142432 Chernogolovka

4. Russian Federation

5. Department of Chemistry

6. M. V. Lomonosov Moscow State University

7. 119991 Moscow

8. Harvard-Smithsonian Center for Astrophysics

9. Atomic and Molecular Physics Division

10. Cambridge

11. USA

Abstract

The potential-energy and dipole-moment functions for six electronic states are obtained both analytically, in the framework of long-range perturbation theory, and numerically, by using first-principles methods.

Funder

National Aeronautics and Space Administration

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01696A

Reference35 articles.

1. The HITRAN2016 molecular spectroscopic database

2. The ExoMol Atlas of Molecular Opacities

3. ROVIBRATIONAL LINE LISTS FOR NINE ISOTOPOLOGUES OF THE CO MOLECULE IN THE X 1 Σ + GROUND ELECTRONIC STATE