{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,20]],"date-time":"2025-11-20T18:54:47Z","timestamp":1763664887848,"version":"3.41.2"},"reference-count":45,"publisher":"AIP Publishing","issue":"24","funder":[{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100002322","name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100004586","name":"Funda\u00e7\u00e3o Carlos Chagas Filho de Amparo \u00e0 Pesquisa do Estado do Rio de Janeiro","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2022,6,28]]},"abstract":"<jats:p>A method to calculate the autoionization width from a discretized pseudo-spectrum is proposed. This method relies on an analytic continuation of Green\u2019s function within the Fano\u2013Feshbach formalism. The pseudo-spectrum is obtained at the multireference configuration interaction level in a square-integrable basis set, commonly found in quantum chemistry software. Few states around the desired resonance are needed to perform the analytic continuation. This method was applied to atomic (He and Ne) and molecular (HF and benzene) systems, and the results for the autoionization width show good agreement with the available theoretical and experimental values.<\/jats:p>","DOI":"10.1063\/5.0094855","type":"journal-article","created":{"date-parts":[[2022,6,13]],"date-time":"2022-06-13T18:40:03Z","timestamp":1655145603000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":1,"title":["Fano\u2013Feshbach formalism applied to the calculation of autoionization widths through analytic continuation"],"prefix":"10.1063","volume":"156","author":[{"given":"A. P.","family":"Oliveira","sequence":"first","affiliation":[{"name":"Universidade Federal do Rio de Janeiro, UFRJ, Instituto de Qu\u00edmica 1 , Av. Athos da Silveira Ramos, 149, Rio de Janeiro - RJ 21941-909, Brazil"},{"name":"Universidade Federal do Rio de Janeiro, UFRJ, Instituto de F\u00edsica 2 , Av. Athos da Silveira Ramos, 149, Rio de Janeiro - RJ 21941-909, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2614-7484","authenticated-orcid":false,"given":"Ginette","family":"Jalbert","sequence":"additional","affiliation":[{"name":"Universidade Federal do Rio de Janeiro, UFRJ, Instituto de F\u00edsica 2 , Av. Athos da Silveira Ramos, 149, Rio de Janeiro - RJ 21941-909, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3862-1761","authenticated-orcid":false,"given":"A. B.","family":"Rocha","sequence":"additional","affiliation":[{"name":"Universidade Federal do Rio de Janeiro, UFRJ, Instituto de Qu\u00edmica 1 , Av. 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