Eur. Phys. J. D (2015) 69: 101
https://doi.org/10.1140/epjd/e2015-50748-9

Regular Article

Analysis of exchange energy at long range for heteronuclear diatomics

Department of Physics, Anhui Normal University, Anhui, Wuhu 241000, P.R. China

^a e-mail: xwsheng@mail.ahnu.edu.cn

Received: 12 October 2014
Received in final form: 12 January 2015
Published online: 7 April 2015

Abstract

The present paper shows that the exchange energies of heteronuclear diatomics can be well fitted with simple analytical expressions. For heteronuclear diatomics with two atoms having large difference of ionization energies, the exchange energies can be closely fitted with − CR^be^{− 4R/ (b + 2)}. In cases where the constituent atoms have similar ionization energies, − CR^be^{− 7R/ (b + 1)} fits the exchange energies very well. In addition, the parameter b, in general, can be well estimated with the atomic ionization energy.