Wang, Yu, Wang, Feng, Sheng, Xiaowei, Yu, Yafei, Knowles, P. J. ORCID: https://orcid.org/0000-0003-4657-6331 and Wang, Jian 2021. Collins conjecture and information entropy in dissociating diatomic molecules. Physical Review A 103 (4) , 042816. 10.1103/PhysRevA.103.042816 |
Preview |
PDF
- Accepted Post-Print Version
Download (369kB) | Preview |
Official URL: http://dx.doi.org/10.1103/PhysRevA.103.042816
Abstract
Collins conjecture is examined in the dissociating molecules of H 2 and N 2 , the proportionality between the correlation energy and the entropy exists in the region close to the equilibrium bond length. Similar proportionality also exists between the kinetic energy and the entropy. On the other hand, the proportionality between the potential energy difference and the entropy expands over to a larger nuclear distance. The result suggests a method to estimate the energy from the entropy. The entropy from the eigenvalue spectrum of the 2-matrix is also discussed.
Item Type: | Article |
---|---|
Date Type: | Publication |
Status: | Published |
Schools: | Chemistry |
Publisher: | American Physical Society |
ISSN: | 2469-9926 |
Funders: | National Natural Science Foundation of China |
Date of First Compliant Deposit: | 11 May 2021 |
Date of Acceptance: | 31 March 2021 |
Last Modified: | 03 Dec 2024 18:00 |
URI: | https://orca.cardiff.ac.uk/id/eprint/141204 |
Citation Data
Cited 2 times in Scopus. View in Scopus. Powered By Scopus® Data
Actions (repository staff only)
Edit Item |