Potential energy of interaction between an electron and a molecule on the basis of slater atomic orbitals

This paper presents general analytical expressions derived for the potential energy of the interaction between an electron and a molecule and the 2 /sup L/ -pole electric moments of the molecules by the Hartree-Fock-Rutan method. These formulas are used for a machine calculation of the interaction p...

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Veröffentlicht in:Sov. Phys. J. (Engl. Transl.); (United States) 1985-03, Vol.28 (3), p.220-224
Hauptverfasser: Guseinov, I. I., Mursalov, T. M., Aliev, V. T.
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Sprache:eng
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Zusammenfassung:This paper presents general analytical expressions derived for the potential energy of the interaction between an electron and a molecule and the 2 /sup L/ -pole electric moments of the molecules by the Hartree-Fock-Rutan method. These formulas are used for a machine calculation of the interaction potential between an electron and hydrogen and nitrogen molecules with different electron distances from these molecules and also of the electric multipole moments of a series of diatomic molecules with L = 0,1,2,3.
ISSN:0038-5697
1573-9228
DOI:10.1007/BF00895909