{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T14:28:23Z","timestamp":1760452103089},"reference-count":60,"publisher":"AIP Publishing","issue":"23","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2004,12,15]]},"abstract":"<jats:p>The lowest two ab initio potential energy surfaces (PES), and the corresponding nonadiabatic couplings between them, have been obtained for the H3+ system; the molecular data are compared to those calculated with the diatomic in molecules (DIM) method. The form of the couplings is discussed in terms of the topology of the molecular structure of the triatomic. The method of Baer is employed to generate \u201cdiabatic\u201d states and the residual nonadiabatic couplings are calculated. The ab initio results for these are markedly different from the corresponding DIM data, and show the need to consider the third PES.<\/jats:p>","DOI":"10.1063\/1.1814936","type":"journal-article","created":{"date-parts":[[2004,11,30]],"date-time":"2004-11-30T23:09:06Z","timestamp":1101856146000},"page":"11629-11638","update-policy":"http:\/\/dx.doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":34,"title":["Study of <i>ab initio<\/i> molecular data for inelastic and reactive collisions involving the H3+ quasimolecule"],"prefix":"10.1063","volume":"121","author":[{"given":"P.","family":"Barrag\u00e1n","sequence":"first","affiliation":[{"name":"Laboratorio Asociado al CIEMAT de F\u0131\u0301sica At\u00f3mica y Molecular en Plasmas de Fusi\u00f3n, Departamento de Qu\u0131\u0301mica, Universidad Aut\u00f3noma de Madrid, 28049-Madrid, Spain"}]},{"given":"L. F.","family":"Errea","sequence":"additional","affiliation":[{"name":"Laboratorio Asociado al CIEMAT de F\u0131\u0301sica At\u00f3mica y Molecular en Plasmas de Fusi\u00f3n, Departamento de Qu\u0131\u0301mica, Universidad Aut\u00f3noma de Madrid, 28049-Madrid, Spain"}]},{"given":"A.","family":"Mac\u0131\u0301as","sequence":"additional","affiliation":[{"name":"Laboratorio Asociado al CIEMAT de F\u0131\u0301sica At\u00f3mica y Molecular en Plasmas de Fusi\u00f3n, Departamento de Qu\u0131\u0301mica, Universidad Aut\u00f3noma de Madrid, 28049-Madrid, Spain"}]},{"given":"L.","family":"M\u00e9ndez","sequence":"additional","affiliation":[{"name":"Laboratorio Asociado al CIEMAT de F\u0131\u0301sica At\u00f3mica y Molecular en Plasmas de Fusi\u00f3n, Departamento de Qu\u0131\u0301mica, Universidad Aut\u00f3noma de Madrid, 28049-Madrid, Spain"}]},{"given":"I.","family":"Rabad\u00e1n","sequence":"additional","affiliation":[{"name":"Laboratorio Asociado al CIEMAT de F\u0131\u0301sica At\u00f3mica y Molecular en Plasmas de Fusi\u00f3n, Departamento de Qu\u0131\u0301mica, Universidad Aut\u00f3noma de Madrid, 28049-Madrid, Spain"}]},{"given":"A.","family":"Riera","sequence":"additional","affiliation":[{"name":"Laboratorio Asociado al CIEMAT de F\u0131\u0301sica At\u00f3mica y Molecular en Plasmas de Fusi\u00f3n, Departamento de Qu\u0131\u0301mica, Universidad Aut\u00f3noma de Madrid, 28049-Madrid, Spain"}]},{"given":"J. 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