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This is exemplified in van der Waals systems with attendant strong anisotropy between in\u2010plane and out\u2010of\u2010plane directions, such as  and  films studied here. The rich interplay between the magnetic ordering and sub\u2010bandgap optical transitions poses a challenge to resolve the mechanisms driving spin\u2010entangled optical transitions, as well as the single\u2010particle bandgap itself. Here, a high\u2010fidelity ab initio theory is applied to find a realistic estimation of the bandgap by elucidating the atom\u2010 and orbital\u2010resolved contributions to the fundamental sub\u2010bands. It is further demonstrated that the spin\u2010entangled excitations, observable as photoluminescence and absorption resonances, originate from an on\u2010site spin\u2010flip transition confined to a magnetic atom (Mn or Ni). The evolution of the spin\u2010flip transition in a magnetic field is used to deduce the effective exchange coupling and anisotropy\u00a0constants.\n                  <\/jats:p>","DOI":"10.1002\/advs.202505834","type":"journal-article","created":{"date-parts":[[2025,11,7]],"date-time":"2025-11-07T12:02:17Z","timestamp":1762516937000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Deconstruction of the Anisotropic Magnetic Interactions from Spin\u2010Entangled Optical Excitations in van der Waals Antiferromagnets"],"prefix":"10.1002","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9935-4885","authenticated-orcid":false,"given":"Dipankar","family":"Jana","sequence":"first","affiliation":[{"name":"LNCMI\u2010EMFL, CNRS UPR3228 Univ. Grenoble Alpes Univ. Toulouse Univ. 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