Theoretical evidence for quasi-molecular structure at small internuclear distances in elastic ion-atom scattering

The potential energy curve of the system Ne-Ne is calculated for small internuclear distances from 0.005 to 3.0 au using a newly developed relativistic molecular Dirac-Fock-Slater code. A significant structure in the potential energy curve is found which leads to a nearly complete agreement with experimental differential elastic scattering cross sections. This demonstrates the presence of quasi-molecular effects in elastic ion-atom collisions at keV energies.

[1]  K. Dietz,et al.  Optimised mean-fields for atoms. IV. The Casimir effect and its influence on relativistic mean fields , 1984 .

[2]  B. Fricke,et al.  Relativistic Dirac—Fock—Slater potential-energy curve for N2 , 1984 .

[3]  K. Dietz,et al.  Optimised mean fields for atoms. III. g-Hartree many-body calculations for small-Z atoms , 1984 .

[4]  B. Fricke,et al.  Interatomic Potential Structures in Highly Ionized Scattering Systems , 1983 .

[5]  B. Fricke,et al.  Influence of the electronic shell structure on the elastic scattering of heavy ions , 1982 .

[6]  A. Becke.  Numerical Hartree-Fock-Slater Calculations on Diatomic Molecules , 1982 .

[7]  J. Connolly,et al.  On first‐row diatomic molecules and local density models , 1979 .

[8]  F. Besenbacher,et al.  Experimental study of effective interatomic potentials. [Z, = 6 to 54, 2. 5 to 400 keV] , 1979 .

[9]  K. Hehl,et al.  Theoretical description of elastic atom—atom scatteringd , 1979 .

[10]  K. Schwarz.  Optimization of the Statistical Exchange Parameter α for the Free Atoms H through Nb , 1972 .

[11]  W. D. Wilson,et al.  Inert Gases in Solids: Interatomic Potentials and Their Influence on Rare-Gas Mobility , 1971 .

[12]  A. Jhaveri,et al.  Resonant Electron Capture in Small-Angle Collisions of Ar + on Ar and Ne + on Ne , 1966 .

[13]  W. Kohn,et al.  Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .

[14]  H. Jensen.  Die Ladungsverteilung in Ionen und die Gitterkonstante des Rubidiumbromids nach der statistischen Methode , 1932 .

[15]  W. Lenz.  Über die Anwendbarkeit der statistischen Methode auf Ionengitter , 1932 .