Correlated orbital theories with both local and non-local one-body potentials

Correlated orbital theories with both local and non-local one-body potentials

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 Hartre...

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Main Author: Norman H. March
Format: Article
Language:English
Published: Accademia Peloritana dei Pericolanti 2010-10-01
Series:Atti della Accademia Peloritana dei Pericolanti : Classe di Scienze Fisiche, Matematiche e Naturali
Online Access:http://dx.doi.org/10.1478/C1C1002001
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spelling doaj-1e57d316cd494febbc9399f5f257a5b42020-11-24T23:10:15ZengAccademia Peloritana dei PericolantiAtti della Accademia Peloritana dei Pericolanti : Classe di Scienze Fisiche, Matematiche e Naturali0365-03591825-12422010-10-01LXXXVIII2C1C1002001Correlated orbital theories with both local and non-local one-body potentialsNorman H. MarchAfter 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.http://dx.doi.org/10.1478/C1C1002001
collection DOAJ
language English
format Article
sources DOAJ
author Norman H. March
spellingShingle Norman H. March
Correlated orbital theories with both local and non-local one-body potentials
Atti della Accademia Peloritana dei Pericolanti : Classe di Scienze Fisiche, Matematiche e Naturali
author_facet Norman H. March
author_sort Norman H. March
title Correlated orbital theories with both local and non-local one-body potentials
title_short Correlated orbital theories with both local and non-local one-body potentials
title_full Correlated orbital theories with both local and non-local one-body potentials
title_fullStr Correlated orbital theories with both local and non-local one-body potentials
title_full_unstemmed Correlated orbital theories with both local and non-local one-body potentials
title_sort correlated orbital theories with both local and non-local one-body potentials
publisher Accademia Peloritana dei Pericolanti
series Atti della Accademia Peloritana dei Pericolanti : Classe di Scienze Fisiche, Matematiche e Naturali
issn 0365-0359
1825-1242
publishDate 2010-10-01
description 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.
url http://dx.doi.org/10.1478/C1C1002001
work_keys_str_mv AT normanhmarch correlatedorbitaltheorieswithbothlocalandnonlocalonebodypotentials
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