IMPOSING A MECHANICAL MODEL ON AN IRREGULAR ELECTRONIC STATE: THE $A\,^1\Sigma^+$ STATE OF AgH
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Abstract
Almost since its first observation in 1925, it has been clear that the shelf'' on the outer part of the potential well. Recent {\em ab initio} studies by Witek {\em et al.}} {\bf 113}, 8015 (2000).}$^,$} {\bf 116}, 8386 (2002).} suggest that the irregular behaviour is actually due to two avoided crossings, and that the resulting effective potential has what we call anti-shelf'' behaviour which is qualitatively different than that described by Learner.
Description
{,E.\ Bengtsson and E.\ Olsen, {\em Z.\ Physik{,L.\ Ger{o{,R.C.M.\ Learner, {\em Proc.\ Roy.\ Soc.\ (London){,H.A.\ Witek, T.\ Nakijima and K.\ Hirao, {\em J.\ Chem.\ Phys.{,H.A.\ Witek, D.G.\ Fedorov, K.\ Hirao, A.\ Viel and P.-O.\ Widmark, {\em J.\ Chem.\ Phys.
Author Institution: Guelph-Waterloo Centre for Graduate Work in Chemistry and; Biochemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada