Ab initio diabatic and adiabatic calculations for francium hydride FrH-Reference-Cited by-同舟云学术

Ab initio diabatic and adiabatic calculations for francium hydride FrH

Published:2020 Issue:14 Volume:44 Page:5572-5587
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Souissi Hanen¹²³⁴⁵^ORCID,Mejrissi Leila¹²³⁴⁵,Habli Hela¹²³⁴⁵,Alsahhaf Maarib⁶⁷⁸⁹¹⁰,Oujia Brahim¹¹⁷⁶¹²¹⁰,Xavier Gadéa et Florent¹³¹⁴¹⁵¹⁶¹⁷

Affiliation:

1. Laboratoire de Physique Quantique

2. Faculté des Sciences de Monastir

3. Université of Monastir

4. Monastir

5. Tunisia

6. Physics Department

7. Faculty of Science

8. Princess Nourah Bint Abdulrahman University

9. Riyadh

10. Kingdom of Saudi Arabia

11. University of Jeddah

12. Jeddah

13. Laboratoire de Chimie et Physique Quantique

14. UMR5626 du CNRS

15. Université de Toulouse

16. UPS

17. Toulouse Cedex 4

Abstract

Explicit ab initio diabatic and adiabatic calculations of potential energy curves (PECs) of the states ^1,3Σ⁺, ^1,3Π, and ^1,3Δ of francium hydride FrH have been carried out with several approaches.

Funder

Princess Nourah Bint Abdulrahman University

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2020/NJ/C9NJ06391A

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5. Ab initio adiabatic and diabatic energies and dipole moments of the KH molecule

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