Tunneling: Proceedings of the Nineteenth Jerusalem Symposium by R. D. Levine (auth.), Joshua Jortner, Bernard Pullman (eds.)

By R. D. Levine (auth.), Joshua Jortner, Bernard Pullman (eds.)

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P. G. Truhlar, Ed. , 1984). P. P. Reinhardt, J. Chern. Phys. 70, 3812 (1979). P. Pajunen, Mol. Phys. 43, 753 (1981). B. K. W. Noid, Phys. Rev. Lett. 50, 579 (1983); Phys. Rev. W. K. B. Delos, Chern. Phys. Lett. K. W. Noid, Chern. Phys. P. Reinhardt and D. Farrelly, J. Phys. (Colloque) 43, C2-29 (1982). H. Miller, J. Chern. Phys. 70, 3214 (1979); 71, 2156 (1979); 72, 2272 (1980). L. S. R. Grant, Ann. Rev. Phys. Chern. 36, 277 (1985) . W. L. S. R. Grant, Chern. Phys. Lett. 120, 106 (1985). W. R. S.

Fig. 4a shows OC-SCF results for the isomerization tunneling probabilities of the n = 20 and n = 21 levels of HCN, and their variation with the stretching state. ~pecificity and the tunneling probability factor is seen to fall strongly with increasing initial excitation of the stretch mode. Very roughly, the tunneling rate decreases by almost an order of magnitude per each additional quantum of stretching excitation. The interpretation seems straightforward: The higher the stretching excitation, the larger is the average C-H separation.

T. P. Reinhardt, J. Chern~Phys. 77, 3595 (1982). E. Kellman, Chern. Phys. Lett. 111, 489 (1985); J. Chern. Phys. 83, 3843 (1985). C. Longuet-Higgins, Mol. Phys. 6, 445 (1963). R. Bunker, Molecular Symmetry a~d Spectroscopy (Academic, New York 1979) . G. S. Ezra, Symmetry Properties of Molecules (Springer-Verlag, 1982). J. Dalton, Mol. Phys. 11, 265 (1966). J. Dalton, J. Chern. Phys. 54, 4745 (1971). T. Hougen, J. Mol. Spec. 8~ 296 (1981); N. T. Hougen, J. Mol. Spec. 112, 384 (1985). B. G. Truhlar, J.

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