Collins conjecture and information entropy in dissociating diatomic molecules

Yu Wang, Feng Wang, Xiaowei Sheng, Yafei Yu, P. J. Knowles, Jian Wang*

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

9 引用 (Scopus)

摘要

Collins conjecture is examined in the dissociating molecules of H2 and N2, 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.

源语言英语
文章编号042816
期刊Physical Review A
103
4
DOI
出版状态已出版 - 4月 2021

指纹

探究 'Collins conjecture and information entropy in dissociating diatomic molecules' 的科研主题。它们共同构成独一无二的指纹。

引用此