{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T10:58:42Z","timestamp":1753873122482,"version":"3.41.2"},"reference-count":47,"publisher":"AIP Publishing","issue":"22","funder":[{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["CHE-1145227"],"award-info":[{"award-number":["CHE-1145227"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2012,6,14]]},"abstract":"<jats:p>Full-dimensional ab initio potential energy surface is constructed for the \\documentclass[12pt]{minimal}\\begin{document}${\\rm H}_7^+$\\end{document}H7+ cluster. The surface is a fit to roughly 160\u2009000 interaction energies obtained with second-order M\u00f6llerPlesset perturbation theory and the cc-pVQZ basis set, using the invariant polynomial method [B. J. Braams and J. M. Bowman, Int. Rev. Phys. Chem.\u200828, 577 (2009)10.1080\/01442350903234923]. We employ permutationally invariant basis functions in Morse-type variables for all the internuclear distances to incorporate permutational symmetry with respect to interchange of H atoms into the representation of the surface. We describe how different configurations are selected in order to create the database of the interaction energies for the linear least squares fitting procedure. The root-mean-square error of the fit is 170 cm\u22121 for the entire data set. The surface dissociates correctly to the \\documentclass[12pt]{minimal}\\begin{document}${\\rm H}_5^+$\\end{document}H5+ + H2 fragments. A detailed analysis of its topology, as well as comparison with additional ab initio calculations, including harmonic frequencies, verify the quality and accuracy of the parameterized potential. This is the first attempt to present an analytical representation of the 15-dimensional surface of the \\documentclass[12pt]{minimal}\\begin{document}${\\rm H}_7^+$\\end{document}H7+ cluster for carrying out dynamics studies.<\/jats:p>","DOI":"10.1063\/1.4726126","type":"journal-article","created":{"date-parts":[[2012,6,14]],"date-time":"2012-06-14T20:14:27Z","timestamp":1339704867000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":16,"title":["Full-dimensional (15-dimensional) <i>ab initio<\/i> analytical potential energy surface for the ${\\rm H}_7^+$H7+ cluster"],"prefix":"10.1063","volume":"136","author":[{"given":"Patricia","family":"Barrag\u00e1n","sequence":"first","affiliation":[{"name":"CSIC 1 Instituto de F\u00edsica Fundamental, , (IFF-CSIC), Serrano 123, 28006 Madrid, Spain"}]},{"given":"Rita","family":"Prosmiti","sequence":"additional","affiliation":[{"name":"CSIC 1 Instituto de F\u00edsica Fundamental, , (IFF-CSIC), Serrano 123, 28006 Madrid, Spain"}]},{"given":"Yimin","family":"Wang","sequence":"additional","affiliation":[{"name":"Emory University 2 Department of Chemistry and Cherry L. Emerson for Scientific Computation, , 1515 Dickey Drive, Atlanta, Georgia 30322, USA"}]},{"given":"Joel M.","family":"Bowman","sequence":"additional","affiliation":[{"name":"Emory University 2 Department of Chemistry and Cherry L. Emerson for Scientific Computation, , 1515 Dickey Drive, Atlanta, Georgia 30322, USA"}]}],"member":"317","published-online":{"date-parts":[[2012,6,11]]},"reference":[{"key":"2023062602523283800_c1","doi-asserted-by":"publisher","first-page":"17765","DOI":"10.1021\/jp070717+","volume":"111","year":"2007","journal-title":"J. Chem. Phys. C"},{"key":"2023062602523283800_c2","doi-asserted-by":"publisher","first-page":"448","DOI":"10.1086\/428935","volume":"624","year":"2005","journal-title":"Astrophys. J."},{"key":"2023062602523283800_c3","doi-asserted-by":"publisher","first-page":"2634","DOI":"10.1103\/PhysRevLett.84.2634","volume":"84","year":"2000","journal-title":"Phys. Rev. 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