Electron correlation in Hooke’s law atom in the high-density limit
| dc.contributor.author | Gill, P. M. W | |
| dc.contributor.author | O'Neill, Darragh P | |
| dc.date.accessioned | 2015-09-29T05:45:09Z | |
| dc.date.available | 2015-09-29T05:45:09Z | |
| dc.date.issued | 2005-03-01 | |
| dc.date.updated | 2015-12-11T11:08:46Z | |
| dc.description.abstract | Closed-form expressions for the first three terms in the perturbation expansion of the exact energy and Hartree-Fock energy of the lowest singlet and triplet states of the Hooke's law atom are found. These yield elementary formulas for the exact correlation energies (-49.7028 and -5.807 65 mE(h)) of the two states in the high-density limit and lead to a pair of necessary conditions on the exact correlation kernel G(w) in Hartree-Fock-Wigner theory. | |
| dc.description.sponsorship | The authors also thank Professor John D. Morgan III for advice concerning Eq. s1d and both EPSRC sGrant No. GR/R81121d and the Research School of Chemistry at ANU for funding. | en_AU |
| dc.identifier.issn | 0021-9606 | en_AU |
| dc.identifier.uri | http://hdl.handle.net/1885/15727 | |
| dc.publisher | American Institute of Physics | |
| dc.rights | http://www.sherpa.ac.uk/romeo/issn/0021-9606..."Publishers version/PDF may be used on author's personal website, institutional website or institutional repository" from SHERPA/RoMEO site (as at 29/09/15). Copyright 2005 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in (Gill, P. M. W., and D. P. O’Neill. "Electron correlation in Hooke’s law atom in the high-density limit." The Journal of chemical physics 122.9 (2005): 094110.) and may be found at https://doi.org/10.1063/1.1862237 | |
| dc.source | The Journal of Chemical Physics | |
| dc.subject | Keywords: Correlation energy; Correlation kernel; Electron correlations; Hartree-Fock energy; Correlation methods; Electrons; Perturbation techniques; Thermodynamics | |
| dc.title | Electron correlation in Hooke’s law atom in the high-density limit | |
| dc.type | Journal article | |
| local.bibliographicCitation.issue | 9 | en_AU |
| local.bibliographicCitation.lastpage | 4 | |
| local.bibliographicCitation.startpage | 094110 | en_AU |
| local.contributor.affiliation | Gill, Peter, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University | en_AU |
| local.contributor.affiliation | O'Neill, Darragh, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University | en_AU |
| local.contributor.authoruid | u1586534 | en_AU |
| local.description.notes | Imported from ARIES | en_AU |
| local.description.refereed | Yes | |
| local.identifier.absfor | 030701 | en_AU |
| local.identifier.ariespublication | MigratedxPub10677 | en_AU |
| local.identifier.citationvolume | 122 | en_AU |
| local.identifier.doi | 10.1063/1.1862237 | en_AU |
| local.identifier.scopusID | 2-s2.0-22944467825 | |
| local.publisher.url | https://www.aip.org/ | en_AU |
| local.type.status | Published Version | en_AU |
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