By W. Brenig, A. Groß, U. Höfer, P. Kratzer, R. Russ (auth.), Professor Ayao Okiji, Professor Hideaki Kasai, Professor Kenji Makoshi (eds.)
Elementary procedures in Excitations and Reactions on strong Surfaces explores the elemental nature of dynamics on stable surfaces. makes an attempt are made to bare numerous points of common approaches in excitations and reactions on reliable surfaces by way of fresh theoretical and experimental advancements of the topics comparable to molecular beams interacting with surfaces, ion beam scattering, laser-induced dynamical procedures, electronically brought about dynamical approaches, and optical houses of stable surfaces. This quantity is devided into 3 elements. half I is worried commonly with the wealthy response dynamics on potential-energy surfaces. half II is dedicated to the interaction of excitations and reactions with specific awareness given to the cost move in addition to the strength move among well-characterized surfaces and beams. partially III, new and quickly constructing tools are introduced.
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Additional info for Elementary Processes in Excitations and Reactions on Solid Surfaces: Proceedings of the 18th Taniguchi Symposium Kashikojima, Japan, January 22–27, 1996
Inverse photoemission studies by Rangelov et al.  have suggested that one of the unoccupied bands of CO jPt(110) contains substantial contributions from the 5a a level (which corresponds to the Pt spa levels in the present calculations), while those of COjNi(llO) and COjPd(llO) do not. Therefore, the mechanism described above is quite consistent with the fact that no photo desorption of CO and NO from Ni or Pd surface has been observed  in contrast to that from Pt surface. The mechanism seems also consistent with the low threshold energy of NO as compared to that of CO, since the PtNO has a low-lying excited state corresponding to the excitation 27ft ~ Pt spa1, which is absent in the case of the PtCO.
An appropriate model PES describing the rearrangement of chemical bonds between the Hand D atoms and a metal surface like Cu(111) is provided by a London-Eyring-Polanyi-Sato (LEPS) potential. The two-body interactions describing the HD molecule and the Hand D atoms adsorbed on Cu(111) are given by Morse potentials, whose parameters are, as discussed in PJ, readily determined from experimental and theoretical studies of H2 and H on Cu(I11). 44 eV, where the isotopic differences in the zero-point energy hw /2 are negligible.
H. Nakatsuji, H. Nakai, and Y. Fukunishi, J. Chern. Phys. 95, 640 (1991). H. Nakatsuji, Acta Chim. Hungarica, 129, 719 (1992). H. Nakatsuji and K. Hirao, J. Chern. , 68, 2053 (1978). H. Nakatsuji, Chern. Phys. Letters, 59, 362 (1978); 67, 329, 334 (1979). H. Nakatsuji and H. Nakai, Chern. Phys Letters, 174, 283 (1990); J. Chern. Phys. 98, 2423 (1993); Can. J. , 70,404 (1992).  H. Nakatsuji, R. Kuwano, H. Morita, and H. Nakai, J. Mol. Catalysis, 82,       211 (1993).  H. Nakatsuji, H.