Accession Number:

ADA102637

Title:

Thin Films, Surfaces and Interfaces: A Fourier-Transform Theory of Their Electronic Structure.

Descriptive Note:

Final rept. 1 May 77-30 Apr 80,

Corporate Author:

UTAH UNIV SALT LAKE CITY

Personal Author(s):

Report Date:

1981-05-15

Pagination or Media Count:

76.0

Abstract:

Presents mathematical topics needed to carry out ab initio electronic structure calculations on surface or interfacial systems. Includes a study of methods for Brillouin-zone integrations, an analysis of electrostatic energies in periodic films, convergence acceleration techniques for lattice sums, and a general exposition of the formulation of the Hartree-Fock method for systems with two-dimensional periodicity. Author

Subject Categories:

  • Numerical Mathematics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE