{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T09:02:34Z","timestamp":1760346154064,"version":"3.41.2"},"reference-count":64,"publisher":"AIP Publishing","issue":"2","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2010,7,14]]},"abstract":"<jats:p>In this work a reliable full nine-dimensional potential energy surface for studying the dynamics of H5+ is constructed, which is completely symmetric under any permutation of the nuclei. For this purpose, we develop a triatoms-in-molecules method as an extension of the more common diatoms-in-molecules one, which allows a very accurate description of the asymptotic regions by including correctly the charge-induced dipole and quadrupole interactions. Moreover, this treatment provides a semiquantitative description of all the topological features of the global potential compared with coupled cluster results. In particular, the hop of the proton between two H2 fragments produces a double well in the potential. This resonant structure involving the five atoms produces a stabilization, lowering the barrier, and the triatoms-in-molecules yields to a barrier significantly higher than the ab initio results. Therefore, to improve the triatomics-in-molecules potential surface, two five-body terms are added, which are fitted to more than 110\u2009000 coupled-cluster ab initio points. The global potential energy surface thus obtained in this work has an overall root mean square error of 0.079 kcal\/mol for energies below 27 kcal\/mol above the global well. The features of the potential are described and compared with previous available surfaces.<\/jats:p>","DOI":"10.1063\/1.3454658","type":"journal-article","created":{"date-parts":[[2010,7,14]],"date-time":"2010-07-14T22:23:11Z","timestamp":1279146191000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":58,"title":["A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional form"],"prefix":"10.1063","volume":"133","author":[{"given":"A.","family":"Aguado","sequence":"first","affiliation":[{"name":"Universidad Aut\u00f3noma de Madrid 1 Departamento de Qu\u00edmica F\u00edsica, Facultad de Ciencias C-XIV, Unidad Asociada UAM-CSIC, , 28049 Madrid, Spain"}]},{"given":"P.","family":"Barrag\u00e1n","sequence":"additional","affiliation":[{"name":"CSIC 2 Instituto de F\u00edsica Fundamental, Unidad Asociada UAM-CSIC, , Serrano 123, 28006 Madrid, Spain"}]},{"given":"R.","family":"Prosmiti","sequence":"additional","affiliation":[{"name":"CSIC 2 Instituto de F\u00edsica Fundamental, Unidad Asociada UAM-CSIC, , Serrano 123, 28006 Madrid, Spain"}]},{"given":"G.","family":"Delgado-Barrio","sequence":"additional","affiliation":[{"name":"CSIC 2 Instituto de F\u00edsica Fundamental, Unidad Asociada UAM-CSIC, , Serrano 123, 28006 Madrid, Spain"}]},{"given":"P.","family":"Villarreal","sequence":"additional","affiliation":[{"name":"CSIC 2 Instituto de F\u00edsica Fundamental, Unidad Asociada UAM-CSIC, , Serrano 123, 28006 Madrid, Spain"}]},{"given":"O.","family":"Roncero","sequence":"additional","affiliation":[{"name":"CSIC 2 Instituto de F\u00edsica Fundamental, Unidad Asociada UAM-CSIC, , Serrano 123, 28006 Madrid, Spain"}]}],"member":"317","published-online":{"date-parts":[[2010,7,14]]},"reference":[{"key":"2023080201442874900_c1","doi-asserted-by":"publisher","first-page":"1189","DOI":"10.1016\/S0032-0633(02)00082-X","volume":"50","year":"2002","journal-title":"Planet. 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