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A meaningful modification for the Tang-Toennies potential model: Application to He-He potential
X.W. Sheng * #,P.Li
Institute of Atomic and Molecular Physics, Sichuan University
*Correspondence author
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Funding: none
Opened online:24 August 2009
Accepted by: none
Citation: X.W. Sheng,P.Li.A meaningful modification for the Tang-Toennies potential model: Application to He-He potential[OL]. [24 August 2009] http://en.paper.edu.cn/en_releasepaper/content/34608
 
 
the repulsive wall of the Tang-Toennies model is, unfortunately, generally too stiff. In addition, the repulsive potential represented by a Born-Mayer term in the Tang-Toennies potential does not allow any physical insight into the nature of intermolecular interactions. In this work a modification of the Tang-Toennies potential model is presented. The repulsive part of the Tang-Toennies model is replaced by the . This term is essentially from Duman and Smirnov who assume the exchange of only one pair of electrons at any one time. After this modification, all of the terms in the modified Tang-Toennies model has a definitely physical meaning. For the He dimer, this new modified Tang-Toennies potential model well coincide with the original Tang-Toennies model in the van der Waals range ( R > 5 a.u. ). In addition this new modified potential model is in excellent agreement with the latest experimental and theoretical results in the repulsive wall ( R > 2 a.u. ). The same method can be applied to other homonuclear systems.
Keywords:exchange energy;Tang-Toennies potential;Helium
 
 
 

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