Publication
Title
Relativistic density functional theory posed in terms of difference equations
Author
Abstract
Because real atoms have ground states, while relativistic Hamiltonians do not, there is a first-principles reason to treat relativistic problems by means of density functional theory (DFT). Here, such a relativistic DFT is presented in terms of difference equations, which arise in turn from discretized differential equations. Two explicit examples considered are: (i) harmonically confined independent Fermions filling an arbitrary number of closed shells, and (ii) hydrogen-like atomic ions for arbitrary atomic number Z. These findings are then compared and contrasted with wave function theories, going back at least to Wall. Finally, some proposals are put forward for future work, both theoretical and experimental, bearing on relativistic DFT formulated in terms of low-order difference equations. (c) 2005 Wiley Periodicals, Inc.
Language
English
Source (journal)
International journal of quantum chemistry. - New York, N.Y.
Publication
New York, N.Y. : 2005
ISSN
0020-7608
Volume/pages
105:6(2005), p. 701-708
ISI
000233063100017
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 12.07.2012
Last edited 20.11.2017
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