Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5384113 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠DMBE potential energy surface of NH2 refined to near spectroscopic accuracy. ⺠Nontrivial procedure: multiproperty fit of ab initio points and frequencies. ⺠Scheme includes Renner-Teller effect for total angular momentum N = 0. ⺠PES essentially unaltered: errors in ab initio energies corrected by direct fitting.
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Authors
S.P.J. Rodrigues, A.C.G. Fontes, Y.Q. Li, A.J.C. Varandas,