Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 7 of 7 for “"nonlocal exchange"”.
-
Hysteresis phenomena of ferromagnetic bodies using the nonlocal exchange energy model
… problem for ferromagnetic bodies using the nonlocal exchange energy model. We show that the model possesses a wide range of phenomena including hysteresis, hysteresis subloops, Barkhausen effect, and demagnetization. The results are in three parts. First, we examine analytically the problem …
-
Density-Functional Study of Molecules, Clusters, and Quantum Nanostructures: Developement of Nonlocal Exchange-Correlation Approximation
Submitted by Jenny Wong-Welch (wongwel2@illinois.edu) on 2011-11-08T22:21:10Z No. of bitstreams: 1 2000_kim.pdf: 5023971 bytes, checksum: 86ea107231547bf626253acdc5001549 (MD5)
-
Electronic Structures of Cadmium Sulfide and Zinc Oxide
… sulfide uSing ~ initio Hartree-Fock theory with nonlocal exchange is presented. Both polarization and relaxation corrections are included, and the resulting band structure is compared with the available optical data. The band gap is found to be direct and equal to 7.1 eVe No simple explanation …
-
Correlated Hartree-Fock band structures for transition metals
… Hartree-Fock energy band structures employing nonlocal exchange are reported for paramagnetic and ferromagnetic nickel, palladium, and palladium hydride, and an approximate correlation correction scheme is shown to yield encouraging results. The resulting nickel band structures are found to be …
-
Electronic Properties of Cuprous-Chloride and Cuprous-Bromide
… using ab initio Hartree-Fock theory with nonlocal exchange is presented. Both polarization and relaxation corrections are included, and the resulting band structure is compared with the available optical data. Contrary to previous speculation, the band gap is found to be direct and equal …
-
Electronic properties of cuprous chloride and cuprous bromide
… using ab initio Hartree-Fock theory with nonlocal exchange is presented. Both polarization and relaxation corrections are included, and the resulting band structure is compared with the available optical data. Contrary to previous speculation, the band gap is found to be direct and equal …