Accession Number:

ADA025128

Title:

Technique Development for Complete Electronic-Structure Calculations in Crystalline Solids

Descriptive Note:

Final rept. 1 Nov 1970-31 Oct 1975

Corporate Author:

UTAH UNIV SALT LAKE CITY DEPT OF PHYSICS

Report Date:

1976-03-01

Pagination or Media Count:

19.0

Abstract:

This is the final report of five-year comprehensive effort in development of techniques for calculations of electronic structures of solids. This reports the method based on Fourier representation theory for exact Hartree-Fock calculation gives results for atomic and molecular hydrogen crystals and lithium crystals preliminary studies of correlation energy extension to surfaces or thin films and to polymers.

Subject Categories:

  • Plastics
  • Crystallography

Distribution Statement:

APPROVED FOR PUBLIC RELEASE