A semiempirical potential for alkali halide diatoms with damped interactions I. Rittner potential

Autor:	Xiaowei Sheng, Kwong Tin Tang, J. Peter Toennies
Rok vydání:	2022
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 24:24823-24833
ISSN:	1463-9084 1463-9076
DOI:	10.1039/d2cp03405k
Popis:	Damping functions are added to the T-Rittner potential of alkali halide diatoms, with the result that the potential has a realistic repulsive potential similar to isoelectronic rare gas dimers, but orders of magnitude deeper attractive wells.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d0637c3a615081f2260f5346e41f48d https://doi.org/10.1039/d2cp03405k Zobrazit plný text záznamu