Godsi, OdedEvenhuis, Christian R.Collins, Michael A.2015-11-252015-11-250021-9606http://hdl.handle.net/1885/16728A method for constructing diabatic potential energy matrices by interpolation of ab initio quantum chemistry data is described and tested. This approach is applicable to any number of interacting electronic states, and relies on a formalism and a computational procedure that are more general than those presented previously for the case of two electronic states. The method is tested against an analytic model for three interacting electronic states of NH₃⁺.http://www.sherpa.ac.uk/romeo/issn/0021-9606..."Publishers version/PDF may be used on author's personal website, institutional website or institutional repository" from SHERPA/RoMEO site (as at 25/11/15). Copyright 2006 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at https://doi.org/10.1063/1.2338912Keywords: Computational methods; Electronic properties; Interpolation; Mathematical models; Quantum theory; Electronic states; Potential energy matrices; Quantum chemistry; Potential energy2006-09-1110.1063/1.23389122015-12-08