This is a preview of subscription content, log in via an institution to check access.
Preview
Unable to display preview. Download preview PDF.
References
Kittel, C., Quantum Theory of Solids (Wiley, 1962).
Bagus, P.S., Brundle, C.R., Chuang, T.J. and Wandelt, K., Phys. Rev. Lett. 39, 1229 (1977).
Stoneham, A.M., J. Phys. C. 7, 2476 (1974).
Messmer, R.P. and Watkins, G.D., Phys. Rev. Lett. 25, 656 (1970).
Haynes, M.R., Phys. Rev. B. 5, 697 (1972).
McWeeny, R. and Sutcliffe, B.T., Methods of Molecular Quantum Mechanics (Academic Press, 1969).
Richards, W.G. and Horsley, J.A., Ab Initio Molecular Orbital Calculations for Chemists (Clarendon Press, Oxford, 1970).
Weinberger, P. and Schwarz, K., in Int. Rev. Sci. Phys. Chem. Series 2, Voll (1975).
Kahn, L.R., Baybutt, P. and Truhlar, D.G., J. Chem. Phys. 65, 3826 (1976).
Melius, C.F., Goddard, W.A. and Kahn, L.R., J. Chem. Phys. 56, 3342 (1972).
Melius, C.F., Olafson, B.D. and Goddard, W.A., Chem. Phys. Lett. 28, 457 (1974).
Dunning, T.H., J. Chem. Phys. 53, 2823 (1970).
Dunning, T.H. and Hay, P.J., in Methods of Electronic Structure Determination. Ed. H.F. Schaefer (Plenum, 1977).
Veillard, A., Theor. Chim. Acta. 12, 405 (1968).
Wachters, A.J.H., J. Chem. Phys. 52, 1033 (1970).
Kendrick, J., unpublished results.
Colbourn, E.A., Kendrick, J. and Mackrodt, W.C., unpublished results.
Murrell, J.N., Tennyson, J. and Kamel, M.A., Molec. Phys. 42, 747 (1981).
Colbourn, E.A., unpublished results.
Colbourn, E.A. and Mackrodt, W.C., unpublished results.
Bounds, D.G. and Hinchcliffe., Molec. Phys. 40, 989 (1980).
Guest, M.F. and Saunders, V.R., Molec. Phys. 28, 819 (1974).
Saunders, V.R. and Guest, M.F., ATMOL3, Part 9, The SCF Programs, Rutherford Laboratory Report (1976).
McOmber, J.I., Topiol, S., Ratner, M.A., Shriver, D.F. and Moskowitz, J.W., J. Phys. Chem. Solids 41, 447 (1980).
Kunz, A.B. and Guse, M.P., Chem. Phys. Lett. 45, 18 (1977).
Watson, R.E., Phys. Rev. 111, 1108 (1958).
Kunz, A.B. and Klein, D.L., Phys. Rev. B17, 4614 (1978).
Sharma, R.R. and Stoneham, A.M., J. Chem. Soc. Faraday II, 913 (1976).
Surratt, G.T. and Kunz, A.B., Solid State Commun. 23, 555 (1977).
Surratt, G.T. and Kunz, A.B., Phys. Rev. Lett. 40, 347 (1978).
Wepfer, G.G., Surratt, G.T., Weidman, R.S. and Kunz, A.B., Phys. Rev. B21, 2596 (1980).
Melius, C.F., Upton, T.H. and Goddard, W.A., Solid State Commun. 28, 501 (1978).
Bagus, P.S. and Seel, M., Phys. Rev. B23, 2065 (1981).
Redondo, A., Goddard, W.A., McGill, T.C. and Surratt, G.T., Solid State Commun: 20, 733 (1976).
Redondo, A., Goddard, W.A. and McGill, T.C., Phys. Rev. B15, 5038 (1977).
Surratt, G.T. and Goddard, W.A., Phys. Rev. B18, 2831 (1978).
Kenton, A.C. and Ribarsky, M.W., Phys. Rev. B23, 2897 (1981).
Isoya, J., Weil, J.A. and Halliburton, L.E., J. Chem. Phys. 74, 5436 (1981).
Tennyson, J. and Murrell, J.N., Molec. Phys. 42, 297 (1981).
Norgett, M.J., UKAEA Harwell Report AERE-R.7650 (1974).
Smith, W., Daresbury Laboratory Technical Memorandum DL/SCI/TM25T (1981).
Mackrodt, W.C. and Stewart, R.F., J. Phys. C10, 1431 (1977).
Author information
Authors and Affiliations
Editor information
Rights and permissions
Copyright information
© 1984 Springer-Verlag
About this chapter
Cite this chapter
Colbourn, E.A., Kendrick, J. (1984). Ab initio cluster calculations for defects in the solid state. In: Catlow, C.R.A., Mackrodt, W.C. (eds) Computer Simulation of Solids. Lecture Notes in Physics, vol 166. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0017933
Download citation
DOI: https://doi.org/10.1007/BFb0017933
Published:
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-11588-5
Online ISBN: 978-3-540-39347-4
eBook Packages: Springer Book Archive