Conformal Analytical Potential for All the Rare Gas Dimers over the Full Range of Internuclear Distances

An analytical model for the potential between two rare gas atoms at distances between R=0 to R→∞ is assumed to be conformal with the previously published potential for He_{2} [J. Chem. Phys. 142, 131102 (2015)JCPSA60021-960610.1063/1.4916740]. The potential curves of the rare gas dimers all have the...

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Veröffentlicht in:Physical review letters 2020-12, Vol.125 (25), p.253402-253402, Article 253402
Hauptverfasser: Sheng, Xiaowei, Toennies, J Peter, Tang, K T
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Sprache:eng
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Zusammenfassung:An analytical model for the potential between two rare gas atoms at distances between R=0 to R→∞ is assumed to be conformal with the previously published potential for He_{2} [J. Chem. Phys. 142, 131102 (2015)JCPSA60021-960610.1063/1.4916740]. The potential curves of the rare gas dimers all have the same shape and only depend on the well parameters D_{e} and R_{e}. The potentials and the vibrational levels for the 11 homonuclear and heteronuclear dimers for which recent ab initio calculations are available agree, within several percent, with the ab initio results. For the other rare gas dimers, the new potential provides the first realistic estimates for the potentials.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.125.253402