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Additionally, a consistent formalism is suggested to model the radial dependence of the nonadiabatic matrix terms that warrants an overlap dependence away from the crossing. When applied to LiF, the overall approach yields results in excellent agreement with the commonly accepted values for the geometric and energetic attributes at both the equilibrium and diabatic crossing regions.<\/jats:p>","DOI":"10.1063\/1.3237028","type":"journal-article","created":{"date-parts":[[2009,10,1]],"date-time":"2009-10-01T15:50:52Z","timestamp":1254412252000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":68,"title":["Accurate <i>ab initio<\/i> potential energy curves for the classic Li\u2013F ionic-covalent interaction by extrapolation to the complete basis set limit and modeling of the radial nonadiabatic coupling"],"prefix":"10.1063","volume":"131","author":[{"given":"A. J. 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