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However, SOC also makes long-range F\u00f6rster-type transfer of the triplet exciton energy from an emitter molecule to another emitter carrying a triplet exciton possible, leading to triplet loss. This triplet\u2013triplet annihilation (TTA) decreases the efficiency and operational lifetime of phosphorescent OLEDs. TTA can be quantified by a F\u00f6rster radius that can be calculated from the overlap between the emission spectrum and the triplet absorption spectrum of the emitter. Using advanced ab\u00a0initio quantum-chemical methods that include solvation and vibrational effects, we calculate the emission and triplet absorption spectra of 16 phosphorescent emitters emitting in the visible and the infrared. As a general rule, we find that the calculated TTA F\u00f6rster radius, and thus the TTA rate, decreases with increasing emission energy, in agreement with experimental results. However, emitter-specific exceptionally large or small F\u00f6rster radii occur because of coincidentally large or small overlaps between peaks in the emission and absorption spectra. This emphasizes the importance of accurate ab\u00a0initio calculations of these spectra in the search for emitters with low TTA. We find that stereoisomers can have distinct TTA F\u00f6rster radii, highlighting the importance of isomeric effects. In contrast to previous studies of triplet-polaron quenching for the same 16 emitters embedded in various charge transporting hosts, we find that quadrupolar contributions to TTA are negligible.<\/jats:p>","DOI":"10.1063\/5.0325415","type":"journal-article","created":{"date-parts":[[2026,5,7]],"date-time":"2026-05-07T13:05:25Z","timestamp":1778159125000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":0,"title":["<i>Ab initio<\/i>\n                    triplet\u2013triplet annihilation rates for phosphorescent OLED emitters"],"prefix":"10.1063","volume":"164","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7165-7558","authenticated-orcid":false,"given":"Clint","family":"van Hoesel","sequence":"first","affiliation":[{"name":"Department of Applied Physics and Science Education, Eindhoven University of Technology 1 , P.O. Box 513, 5600 MB Eindhoven,","place":["The Netherlands"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-3007-4808","authenticated-orcid":false,"given":"Chima S.","family":"Chibueze","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Pharmaceutical Sciences, Vrije Universiteit Amsterdam 2 , De Boelelaan 1108, 1081 HZ Amsterdam,","place":["The Netherlands"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7748-6243","authenticated-orcid":false,"given":"Lucas","family":"Visscher","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Pharmaceutical Sciences, Vrije Universiteit Amsterdam 2 , De Boelelaan 1108, 1081 HZ Amsterdam,","place":["The Netherlands"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1634-1718","authenticated-orcid":false,"given":"Reinder","family":"Coehoorn","sequence":"additional","affiliation":[{"name":"Department of Applied Physics and Science Education, Eindhoven University of Technology 1 , P.O. 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