{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,5]],"date-time":"2026-04-05T09:17:14Z","timestamp":1775380634185,"version":"3.50.1"},"reference-count":57,"publisher":"AIP Publishing","issue":"22","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[1996,12,8]]},"abstract":"<jats:p>Density functional approximations for the exchange-correlation energy EDFAxc of an electronic system are often improved by admixing some exact exchange Ex: Exc\u224aEDFAxc+(1\/n)(Ex\u2212EDFAx). This procedure is justified when the error in EDFAxc arises from the \u03bb=0 or exchange end of the coupling-constant integral \u222b10\u2008d\u03bb\u2009EDFAxc,\u03bb. We argue that the optimum integer n is approximately the lowest order of G\u00f6rling\u2013Levy perturbation theory which provides a realistic description of the coupling-constant dependence Exc,\u03bb in the range 0\u2264\u03bb\u22641, whence n\u224a4 for atomization energies of typical molecules. We also propose a continuous generalization of n as an index of correlation strength, and a possible mixing of second-order perturbation theory with the generalized gradient approximation.<\/jats:p>","DOI":"10.1063\/1.472933","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T12:15:21Z","timestamp":1027685721000},"page":"9982-9985","update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":6013,"title":["Rationale for mixing exact exchange with density functional approximations"],"prefix":"10.1063","volume":"105","author":[{"given":"John P.","family":"Perdew","sequence":"first","affiliation":[{"name":"Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118"}]},{"given":"Matthias","family":"Ernzerhof","sequence":"additional","affiliation":[{"name":"Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118"}]},{"given":"Kieron","family":"Burke","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Rutgers University, Camden, New Jersey 08102"}]}],"member":"317","reference":[{"key":"2024020616201961700_r1","doi-asserted-by":"crossref","first-page":"A1133","DOI":"10.1103\/PhysRev.140.A1133","volume":"140","year":"1965","journal-title":"Phys. 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