Hartree-Fock electronic structure calculations forfree atoms and immersed atoms in an electron gas

Graduate Thesis Or Dissertation

Public Deposited

Citeable URL: https://ir.library.oregonstate.edu/concern/graduate_thesis_or_dissertations/rx913s55j

Descriptions

Attribute Name	Values
Creator	Walsh, Kenneth Charles
Abstract	Electronic structure calculations for free and immersed atoms are performed in the context of unrestricted Hartree-Fock Theory. Spherical symmetry is broken, lifting de-generacies in electronic conﬁgurations involving the magnetic quantum number m. Basis sets, produced from density functional theory, are then explored for completeness. Com-parison to spectroscopic data is done by a conﬁgurational interaction of the appropriate L and S symmetry. Finally, a perturbation technique by L¨owdin is used to couple the bound atomic states to a neutral, uniform background electronic gas (jellium).
License	All rights reserved
Resource Type	Dissertation
Date Available	2010-01-27T23:41:17+00:00
Date Issued	2009-12-16
Degree Level	Doctoral
Degree Name	Doctor of Philosophy (Ph.D.)
Degree Field	Physics
Degree Grantor	Oregon State University
Commencement Year	2010
Advisor	Jansen, Henri
Committee Member	Krane, Kenneth Tate, Janet Landau, Rubin Warnes, Bill
Academic Affiliation	Physics
Non-Academic Affiliation	Oregon State University. Graduate School
Subject	Hartree-Fock approximation -- Mathematical models Electron gas -- Mathematical models Electronic structure -- Mathematical models
Rights Statement	In Copyright
Publisher	Oregon State University
Peer Reviewed	No
Language	English [eng]
Replaces	http://hdl.handle.net/1957/14140

Parents:

This work has no parents.

In Collection:

Thumbnail	Title	Date Uploaded	Visibility	Actions
	walshkennethc2010.pdf	2017-08-07	Public	Download