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Spectroscopic calculations of electron diffraction parameters of diatomic molecules

✍ Scribed by V.P. Spiridonov; A.G. Gershikov; B.S. Butayev


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
392 KB
Volume
56
Category
Article
ISSN
0009-2614

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✦ Synopsis


Using spectroscopic data, the electron diffraction parameters rg and 1, for the iodine and oxygen molecules are calcufated at various temperatures by numerical diagonalization of the *rational hamiltonian matri.. and by the density matrix approach. The results are discussed and compared with available experimental data. A comparison is also made with the results of second-order perturbation calculations for iodine reported in the literature.


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Spectroscopic Parameters of the Heteronu
✍ Finley, C. W.; Ferrante, John πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 309 KB

The Embedded Atom Method (EAM) is used to calculate the binding energy curvcs for heteronuclear diatomic molecules of Ni, Pd, Pt, Cu, Ag and Au. The EAM potentials for the homonuclear metals are modified using two-body potentials for the AB alloys developed by R. A. Johnson. The binding energy curve