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...
Gespeichert in:
Veröffentlicht in: | Sov. Phys. J. (Engl. Transl.); (United States) 1985-03, Vol.28 (3), p.220-224 |
---|---|
Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
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 |