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Correlated orbital theories with both local and non-local one-body potentials
Journal Title AAPP | Physical, Mathematical, and Natural Sciences
Journal Abbreviation AAPP
Publisher Group Università Degli Studi Di Messina (UNIME)
Website http://cab.unime.it/journals/
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Title Correlated orbital theories with both local and non-local one-body potentials
Authors March, Norman H
Abstract After a brief survey of current density functional theory (DFT), based on an incompletely known one-body potential V(r), a method due to Cordero, March, and Alonso (CMA) is summarized. This obtains the ground-state density n(r), for spherical atoms as yet, from a semi-empirical fine-tuning of Hartree-Fock (HF) theory, which of course involves a non-local potential because of the presence of the Fock operator. This leads to n(r) for spherical atoms of quantum Monte Carlo quality. A more recent proposal, related to CMA but different, by Bartlett, is also reviewed.
Publisher Accademia Peloritana dei Pericolanti
Date 2010-12-31
Source 0365-0359
Rights Articles and conference papers published in Atti della Accademia Peloritana dei Pericolanti – Classe di Scienze Fisiche, Matematiche e Naturali are distributed under the terms and conditions of a Creative Commons Attribution 3.0 Unported License (effective since 2009, Vol. 87). Correspondingly, authors who publish with this journal agree to the following terms:Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work´s authorship and initial publication in this journal.Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal´s published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access). 

 

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