On the validity of a modified Buckingham potential for the rare gas dimers at intermediate distances
1973; Elsevier BV; Volume: 20; Issue: 3 Linguagem: Inglês
10.1016/0009-2614(73)85166-8
ISSN1873-4448
Autores Tópico(s)Advanced Chemical Physics Studies
ResumoThe Buckingham potential has been modified to include the R−8 and R−10 dispersion terms. All the potential parameters are known for the rare gas dimers either from SCF or TFD calculations at short distances or perturbation calculations at long distances. Computed well potential parameters R0 and Rm are found to be in excellent agreement (< 5%), while ϵ values are in reasonable agreement (≈ 25%) with the most recent experimental results.
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