Global accurate diabatic potential surfaces for the reaction H + Li2-Reference-Cited by-同舟云学术

Global accurate diabatic potential surfaces for the reaction H + Li2

Published:2020 Issue:64 Volume:10 Page:39226-39240
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yin Ruilin¹²³⁴,Gao Nan⁵⁶³⁴,Cao Jing¹²³⁴,Li Yanchun¹²³⁴^ORCID,Wang Dequan¹²³⁴^ORCID,Huang Xuri¹²³⁴

Affiliation:

1. Institute of Theoretical Chemistry

2. Jilin University

3. Changchun

4. People’s Republic of China

5. Department of Thoracic Surgery

6. China-Japan Union Hospital of Jilin University

Abstract

The adiabatic potential energies for the lowest three states of a Li₂H system are calculated with a high level ab initio method (MCSCF/MRCI) with a large basis set.

Funder

National Natural Science Foundation of China

Jilin Scientific and Technological Development Program

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA05777K

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2. Cosmological Recombination of Lithium and Its Effect on the Microwave Background Anisotropies

3. Stimulated Radiative Association of Li and H in the Early Universe

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