{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,25]],"date-time":"2025-10-25T12:09:47Z","timestamp":1761394187890,"version":"3.41.2"},"reference-count":59,"publisher":"AIP Publishing","issue":"19","funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["10804015","10874234","20703064","90923003"],"award-info":[{"award-number":["10804015","10874234","20703064","90923003"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2012,5,21]]},"abstract":"<jats:p>A global single-sheeted double many-body expansion potential energy surface is reported for the first excited triplet state of \\documentclass[12pt]{minimal}\\begin{document}$\\rm NH_3$\\end{document} NH 3. It employs an approximate cluster expansion of the molecular potential that utilizes previously reported functions of the same family for the triatomic fragments. Four-body energy terms have been calibrated from extensive accurate ab initio data so as to reproduce the main features of the title system. A new switching function formalism has been reported to approximate the true multisheeted nature of \\documentclass[12pt]{minimal}\\begin{document}${\\rm NH_3}({\\sideset{^3}{^{\\prime \\prime }_{2}}{A}})$\\end{document} NH 3(A2\u2032\u20323) potential energy surface, thus allowing the correct behavior at the NH2(2A\u2033) + H(2S) and NH2(4A\u2033) + H(2S) dissociation limits. The resulting fully six-dimensional potential energy function reproduces the correct symmetry under the permutation of identical atoms, and predicts the correct behavior at all dissociation channels while providing a realistic representation at all interatomic separations. The major attributes of the \\documentclass[12pt]{minimal}\\begin{document}$\\rm NH_3$\\end{document} NH 3 double many-body expansion potential energy surface have also been characterized, and found to be in good agreement, both with the calculated ones from the raw ab initio energies and the theoretical results available in the literature.<\/jats:p>","DOI":"10.1063\/1.4718705","type":"journal-article","created":{"date-parts":[[2012,5,20]],"date-time":"2012-05-20T12:20:00Z","timestamp":1337516400000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":24,"title":["<i>Ab initio<\/i>-based double many-body expansion potential energy surface for the first excited triplet state of the ammonia molecule"],"prefix":"10.1063","volume":"136","author":[{"given":"Y. 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