Adsorption effects on resonant charge transfer in atom-surface scattering

The probability of positive ionization of an atom impinging on a solid surface is calculated by numerical solution of the equations of motion of the time-dependent molecular orbitals of the system. The model is applied to the scattering of Na atoms, in the energy range 50–1000 eV, from a W(110) surface. The presence of Na adatoms is considered and found to hinder the ionization process. This reduction in the charge-transfer probability arises because of the lowering of the surface work function brought about by increasing adatom concentration.     

Algebraic hulls and the følner property

A. I. was partially supported by NSF grants DMS 9001959, DMS 9100383 and DMS 8505550. A. N. was partially supported by the Israel National Academy of Science and Humanities — Wolfson grant.     

The least solution for the polynomial interpolation problem

Supported by the National Science Foundation under Grant No. DMS-8701275     

Synthesis of(±)-descarboxylquadrone

The synthesis of a biologically active anlogue of the antitumor agent quadrone, termed descarboxylquadrone ($\text{3}$), is described.     

Double perturbation theory and symmetry

A formulation of double perturbation theory is described which allows symmetry to be included in those cases where the zero-order hamiltonian does not contain the full symmetry of the problem. As an example we apply the theory to the Epstein-Johnson spin model.     

Configuration interaction methods for improving unrestricted Hartree-Fock spin densities

Limited Configuration Interaction wave functions based on Unrestricted Hartree-Fock natural orbitals are found to be easy to compute and to give much more satisfactory spin densities than are provided by techniques currently in use.