Analyzing and modeling the interaction potential of the ground-state beryllium dimer

X. W. Sheng, X. Y. Kuang, P. Li, and K. T. Tang

Phys. Rev. A 88, 022517 – Published 27 August 2013

Abstract

The factors that caused the Be $_{2}$ potential to be quite different from other conventional van der Waals potentials are quantitatively delineated with relatively simple self-consistent-field calculations. By decomposing the potential into its three major components, we are able to show that the rather sudden change of slope in the potential energy curve around 3.2 Å is the result of the interplay between the $s p$ hybridization and the correlation energy. It also enables us to model the interaction with a classical van der Waals potential, which provides the proper long-range behavior of the system, and a short-range attraction which mimics the effects of the $s p$ hybridization.

Received 12 November 2012

DOI:https://doi.org/10.1103/PhysRevA.88.022517

Authors & Affiliations

X. W. Sheng^1,2,*, X. Y. Kuang^1,†, P. Li^1,‡, and K. T. Tang^1,3,§

¹The Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065, China
²Department of Physics, Anhui Normal University, Wuhu, Anhui 241000, China
³Department of Physics, Pacific Lutheran University, Tacoma, Washington 98447, USA

^*xwsheng2@163.com
^†kuangxiaoyu@scu.edu.cn
^‡lpscun@163.com
^§tangka@plu.edu

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Vol. 88, Iss. 2 — August 2013

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