Study of the Ar–N2 interaction. I. Electron gas model (Gordon–Kim model) potential calculation
1978; American Institute of Physics; Volume: 68; Issue: 11 Linguagem: Inglês
10.1063/1.435614
ISSN1520-9032
Autores Tópico(s)Inorganic Fluorides and Related Compounds
ResumoThe interaction potential between Ar and N2 is calculated for various angular orientations using the Gordon–Kim electron gas model. The spherically averaged potential is compared with the available experimental potentials. The agreement is very good, as good as the agreement found in the cases of atom–atom interactions. This is quite unlike the other atom–molecule interactions treated by the electron gas model, where the molecules involved were polar. The calculated anisotropy coefficient is larger than the widely used value of Pattengill et al., but it is in the direction of the more recent empirical value of Kistemaker and de Vries.
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