Abstract
Ionization thresholds and electron affinities have been calculated within the Local Density Approximation (LDA) for the neutral, positively and negatively charged clusters of LaC60 and C60. The evaluated energies are found to be in good agreement with available experimental data. More accurate measurements are however necessary to verify the suggested spheroidal cage structure for these molecules.
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Kroto, H.W., Heath, J.R., O’Brien, S.C.O., Curl, R.F., Smalley, R.E.: Nature 318, 162 (1985).
Smalley, R.E.: NASA Conference on Carbon in the Galaxy, November 1987, NASA Conference Report. This paper gives an up to date overview of the field.
Klein, D.J., Seitz, W.A., Schmalz, T.G.: Nature 323, 703 (1986).
Kroto, H.W.: Nature, 329, 529 (1987)This paper gives an overview of the discussion of the stability of carbon clusters.
Heath, J.R., Brien, S.C.O., Zhang, Q., Liu, Y., Curl, R.F., Kroto, H.W., Tittel, F.K., Smalley, R.E.: J. Am. Chem. Soc. 107, 7779 (1980).
Weiss, F.D., Elkind, J.L., O’Brien, S.C., Curl, R.F., Smalley, R.E.: J. Am. Chem. Soc. 110, 4464 (1988).
Hopkins, J.B., Langridge-Smith, P.R.R., Morse, M.D., Smalley, R.E.: J. Chem. Phys. 78, 1627 (1983).
Cox, D.M., Trevor, D.J., Reichmann, K.C., Kaldor, A.: J. Am. Chem. Soc. 108, 2457 (1986).
Watanabe, H., Ionshita, T.: Optoelectronics Dev. 1, 33 (1986).
Ionshita, T., Ohnishi, S., Oshiyama, A.: Phys. Rev. Lett. 57, 2560 (1986).
Watanabe, H.: The Physics and Fabrication of Microstructures and Microdevices, Kelly, M.J., Weisbuch, C. (eds.). Berlin, Heidelberg, New York: Springer 1986.
Del Bene, J., Jaffé, H.H.: Chem. Phys. 48, 1807, 4050 (1968).
Larsson, S., Volosov, A., Rosén, A.: Chem. Phys. Lett. 137, 501 (1987).
Rosén, A., Wästberg, B.: J. Chem. Phys. 90, 2525 (1989).
Rosén, A., Wästberg, B.: J. Am. Chem. Soc. 110, 8701 (1988).
Kohn, W., Sham, L.J.: Phys. Rev. A140, 1133 (1965).
Cox, D.M., Trevor, D.J., Reichmann, K.C., Kaldor, A.: J. Am. Chem. Soc. 108, 2457 (1986).
Yang, S.H., Pettitte, C.L., Conceicao, J., Cheshnovsky, O., Smalley, R.E.: Chem. Phys. Lett. 139, 233 (1987).
Heath, J.R., Curl, R.F., Smalley, R.E.: J. Chem. Phys. 87, 4236 (1987).
von Barth, U., Hedin, L.: J. Phys. C 5, 1629 (1972).
Ellis, D.E., Painter, G.S.: Phys. Rev. B 2, 2887 (1970).
Rosén, A., Ellis, D.E.: Adachi, H., Averill, F.: J. Chem. Phys. 65, 3629 (1976).
Newton, M.D., Stanton, R.E.: J. Am. Chem. Soc. 108, 2469–2470 (1986).
Slater, J.C.: The self-consistent field for molecules and solids. New York: McGraw-Hill 1974.
Slater, J.C.: Adv. Quantum Chem. 6, 1 (1972).
Lüthi, H.P., Almlöf, J.: Chem. Phys. Lett. 135, 357 (1987).
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Rosén, A., Wästberg, B. (1989). Electronic structure of spheroidal metal containing carbon shells: study of the LaC60 and C60 clusters and their ions within the local density approximation. In: Chapon, C., Gillet, M.F., Henry, C.R. (eds) Small Particles and Inorganic Clusters. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-74913-1_86
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DOI: https://doi.org/10.1007/978-3-642-74913-1_86
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