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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| Format: | Article |
| Language: | English |
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Accademia Peloritana dei Pericolanti
2010-10-01
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| Series: | Atti della Accademia Peloritana dei Pericolanti : Classe di Scienze Fisiche, Matematiche e Naturali |
| Online Access: | http://dx.doi.org/10.1478/C1C1002001 |
| Summary: | 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. |
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| ISSN: | 0365-0359 1825-1242 |