{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,24]],"date-time":"2026-03-24T13:48:45Z","timestamp":1774360125138,"version":"3.50.1"},"reference-count":49,"publisher":"AIP Publishing","issue":"18","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2008,5,14]]},"abstract":"<jats:p>Reduced density-matrix functional theory (RDMFT) is a promising alternative approach to the problem of electron correlation. Like standard density functional theory, it contains an unknown exchange-correlation functional, for which several approximations have been proposed in the last years. In this article, we benchmark some of these functionals in an extended set of molecules with respect to total and atomization energies. Our results show that the most recent RDMFT functionals give very satisfactory results compared to standard quantum chemistry and density functional approaches.<\/jats:p>","DOI":"10.1063\/1.2899328","type":"journal-article","created":{"date-parts":[[2008,5,12]],"date-time":"2008-05-12T14:18:25Z","timestamp":1210601905000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":74,"title":["Benchmark calculations for reduced density-matrix functional theory"],"prefix":"10.1063","volume":"128","author":[{"given":"N. N.","family":"Lathiotakis","sequence":"first","affiliation":[{"name":"Theoretical and Physical Chemistry Institute 1 , National Hellenic Research Foundation, 48 Vass. Constantinou Ave, GR11635 Athens, Greece"},{"name":"Freie Universit\u00e4t Berlin 2 Institut f\u00fcr Theoretische Physik, , Arnimallee 14, D-14195 Berlin, Germany"},{"name":"European Theoretical Spectroscopy Facility 3"}]},{"given":"Miguel A. L.","family":"Marques","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Lyon I 4 Laboratoire de Physique de la Mati\u00e8re Condens\u00e9e et Nanostructures, , CNRS, UMR 5586, Domaine scientifique de la Doua, F-69622 Villeurbanne Cedex, France"},{"name":"University of Coimbra 5 Centre for Computational Physics, Department of Physics, , 3004-516 Coimbra, Portugal"},{"name":"European Theoretical Spectroscopy Facility 3"}]}],"member":"317","published-online":{"date-parts":[[2008,5,9]]},"reference":[{"key":"2023073022234130200_c1","doi-asserted-by":"publisher","first-page":"2111","DOI":"10.1103\/PhysRevB.12.2111","volume":"12","year":"1975","journal-title":"Phys. Rev. B"},{"key":"2023073022234130200_c2","doi-asserted-by":"publisher","first-page":"1474","DOI":"10.1103\/PhysRev.97.1474","volume":"97","year":"1954","journal-title":"Phys. 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