{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,11]],"date-time":"2026-08-11T16:33:52Z","timestamp":1786466032911,"version":"build-2736575974"},"reference-count":150,"publisher":"American Chemical Society (ACS)","issue":"15","license":[{"start":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T00:00:00Z","timestamp":1785369600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","award":["DE-SC0016486"],"award-info":[{"award-number":["DE-SC0016486"]}],"id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","award":["DE-SC0023445"],"award-info":[{"award-number":["DE-SC0023445"]}],"id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,8,11]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>We present an optimized random phase approximation method (optRPA26) that significantly improves upon conventional RPA through an optimized choice of reference orbitals and energy components, rather than a modification of the RPA correlation functional itself. The method employs an empirically constructed hybrid functional to generate DFT orbitals to evaluate the RPA correlation energy, which is then scaled by a constant. Comprehensive benchmarks across molecules, bulk solids, and surface systems demonstrate that optRPA26 consistently achieves high accuracy, with mean absolute errors of 0.05 eV for W4-11-RE reaction energies, 0.07 eV for cohesive energies, 0.09 eV for metal oxide formation energies, 0.11\u20130.12 eV for adsorption of small molecules on metals, and 0.06 eV for adsorption on oxides. In addition, optRPA26 correctly captures phase stability in metal oxides and magnetic metals. The optRPA26 approach can be run using standard RPA implementations, highlighting its potential as a general-purpose reference method that can accurately capture covalent, ionic, metallic, and van der Waals bonding in molecules, solids, and interfaces.<\/jats:p>","DOI":"10.1021\/acs.jctc.6c00537","type":"journal-article","created":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T13:21:39Z","timestamp":1785849699000},"page":"7882-7896","source":"Crossref","is-referenced-by-count":0,"title":["Optimization of\nRandom Phase Approximation Calculations\nfor Improved Energies of Molecules, Solids, and Surfaces"],"prefix":"10.1021","volume":"22","author":[{"given":"Neung-Kyung","family":"Yu","sequence":"first","affiliation":[{"name":"Georgia Institute of Technology , , , ,","place":["Atlanta, Georgia, United States, 30332"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Johannes","family":"Voss","sequence":"additional","affiliation":[{"name":"SLAC National Accelerator Laboratory , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8311-9581","authenticated-orcid":true,"given":"Andrew J.","family":"Medford","sequence":"additional","affiliation":[{"name":"Georgia Institute of Technology , , , ,","place":["Atlanta, Georgia, United States, 30332"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,7,30]]},"reference":[{"key":"2026081111105156700_cit1","doi-asserted-by":"publisher","first-page":"6681","DOI":"10.1007\/s11192-021-04057-z","article-title":"Authorship and citation\ncultural nature in Density Functional Theory from solid state computational\npackages","volume":"126","author":"Dumaz","year":"2021","journal-title":"Scientometrics"},{"key":"2026081111105156700_cit2","doi-asserted-by":"publisher","first-page":"49","DOI":"10.1126\/science.aah5975","article-title":"Density\nfunctional theory is straying from the path toward the exact functional","volume":"355","author":"Medvedev","year":"2017","journal-title":"Science"},{"key":"2026081111105156700_cit3","doi-asserted-by":"publisher","first-page":"11269","DOI":"10.1021\/jp0715023","article-title":"Quantitative computational thermochemistry of transition\nmetal species","volume":"111","author":"De Yonker","year":"2007","journal-title":"J. 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