Abstract
Theoretical X-ray absorption near-edge spectra have been evaluated for different bond lengths of Mn2, Co2 and Ni2 using a modified Xα scattered-wave procedure.
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Metal Clusters, Proceedings of an International Symposium, Heidelberg, West Germany 1986. (eds.) Träger, F., zu Putlitz, G.: Z. Phys. D-Atoms, Molecules and Clusters3, 99 (1986)
International Symposium on the Physics and Chemistry of Small Clusters. Richmond Virginia, Oct 28–Nov. 1, 1986. Jena, P., Rao, B.K., Khanna, S.N. (eds.) New York: Plenum 1987
Metal Clusters, Moskowitz, M. (ed.). New York: Wiley 1986
Cox, D.M., Zakin, M.R., Kaldor, A.: In: Elemental and molecular clusters. Benedek, G., Martin, T.P., Pacchioni, G. (eds.) Berlin, Heidelberg, New York: Springer 1988
Hopkins, J.B., Langridge-Smith, P.R.R., Morse, M.D., Smalley, R.E.: J. Chem. Phys.78, 1627 (1983)
Kaldor, A., Cox, D.M., Trevor, D.J., Zakim, M.R.: In Ref. 1, p. 195
Moskowitz, J.M.: In Ref. 3, p. 131
Herrmann, A., Hoffmann, M., Leutwyler, S., Schumacher, E., Wöste, L.: Chem. Phys. Lett.62, 216 (1979)
Morse, M.D., Hopkins, J.B., Langridge-Smith, P.R.R., Smalley, R.E.: J. Chem. Phys.79, 5316 (1983)
Walch, S.P., Bauschlicher, C.W.: In: Comparison of ab initio quantum chemistry with experiments for small molecules. the State of the art. Bartlett, J. (ed.). Dordrecht, Holland: D. Reidel 1985
Salahub, D.R., Roos, B., Jones, B.: In: Ab initio methods in quantum chemistry. Advances in chemical physics, Vol LXVII and LXIX. New York: Wiley 1987
Bart, J.C.J.: Adv. Catal.34, 203 (1986)
Montano, P.A., Shenoy, G.K.: Solid State Commun.35, 53 (1980)
Purdum, H., Montano, P.A., Shenoy, G.K., Morrison, T.: Phys. Rev. B25, 4412 (1982)
Montano, P.A., Schulze, W., Tesche, B., Shenoy, G.K., Morrison T.I.: Phys. Rev. B30, 672 (1984)
Wästberg, B., Rosén, A., Ellis, D.E.: Z. Phys. D-Atoms, Molecules and Clusters 12 (1989) (this issue)
Kohn, W., Sham, L.J.: Phys. Rev.140, A1133 (1965)
Rosén, A., Ellis, D.E., Adachi, H., Averill, F.W.: J. Chem. Phys.65, 3629 (1973)
Delley, B., Ellis, D.E.: J. Chem. Phys.76, 1949 (1982)
von Barth, U., Hedin, L.: J. Phys. C5, 1629 (1972)
Chou, S.-H., Kutzler, F.W., Ellis, D.E. Shenoy, G.K., Morrison, T.I., Montano, P.A.: Phys. Rev. B31, 1069 (1985)
D.R. Salahub in Ref. 11.
Huber, K.P., Herzberg, G.: Constants of diatomic molecules. New York: Van Nostrand Reinhold 1979
Morse, M.D., Hansen, G.P., Langridge-Smith, P.R.R., Zheng, L.-S., Geusic, M.E., Michalopoulos, D.L., Smalley, R.E.: J. Chem. Phys.80, 5400 (1984)
Dehmer, J.L., Dill, D.: Phys. Rev. Lett.35, 213 (1975); J. Chem. Phys.65, 5327 (1976)
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Wästberg, B., Rosén, A. & Ellis, D.E. First-principles calculations of K-edge X-ray absorption near edge spectra of some transition metal dimers. Z Phys D - Atoms, Molecules and Clusters 12, 377–380 (1989). https://doi.org/10.1007/BF01426976
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DOI: https://doi.org/10.1007/BF01426976