2026-09-23T07:01:57Z https://www.ideals.illinois.edu/oai-pmh

oai:www.ideals.illinois.edu:2142/25260 2023-07-10 col_2142_8859 col_2142_5131 com_2142_8858 com_2142_234 com_2142_5130

Kunz, A.B. Goalwin, Patrick William 2011-06-03T16:52:20Z 2011-06-03T16:52:20Z 10000-01-01 1986 In this thesis the use of the Unrestricted Hartree-Fock technique augmented by many body perturbation theory techniques and symmetry projection methods in the study of the energies of the excited states of atomic, molecular and solid state systems is investigated. A perturbation method for finding relativistic corrections to the energy is also investigated. Results are presented which indicate that many body perturbation theory substantially improves Hartree-Fock energies, that symmetry projection enables one to calculate the energies of excited state singlets, and that one can compute relativistic corrections for free atoms but one cannot compute enhancement effects in the spin-orbit parameter due to atomic overlap in solids. Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-03T16:52:20Z No. of bitstreams: 1 1986_goalwin.pdf: 2232522 bytes, checksum: eda012d51c646485b4f0b0974ce268c9 (MD5) Made available in DSpace on 2011-06-03T16:52:20Z (GMT). No. of bitstreams: 1 1986_goalwin.pdf: 2232522 bytes, checksum: eda012d51c646485b4f0b0974ce268c9 (MD5) Previous issue date: 1986 Restriction data tranferred 2014-07-01T11:14:19-05:00 Original Data Group with Access UIUC Users [automated] Release Date: none Reason: Thesis Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Carolyn Mead (cmead2@illinois.edu) on 2011-06-03T16:52:20Z Item is restricted indefinitely. Thesis U of I Only 933703 http://hdl.handle.net/2142/25260 en Copyright 1986 Patrick William Goalwin Unrestricted Hartree-Fock (UHF) many body perturbation theory excited states Ab initio Hartree-Fock and many body perturbation theory calculation of the energies of the excited states of some materials Dissertation / Thesis text Physics Physics University of Illinois at Urbana-Champaign Dissertation Ph.D.