Thin Films, Surfaces and Interfaces: A Fourier-Transform Theory of Their Electronic Structure.
Final rept. 1 May 77-30 Apr 80,
UTAH UNIV SALT LAKE CITY
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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
- Numerical Mathematics