Technique Development for Complete Electronic-Structure Calculations in Crystalline Solids
Final rept. 1 Nov 1970-31 Oct 1975
UTAH UNIV SALT LAKE CITY DEPT OF PHYSICS
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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.