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Original Articles

The embedding problem in ordered and disordered systems

Pages 89-99 | Received 07 Aug 1984, Accepted 21 Sep 1984, Published online: 27 Sep 2006

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Y. Bouteiller, C. Mijoule, M. Nizam, J.C. Barthelat, J.P. Daudey, M. Pelissier & B. Silvi. (1988) Extended gaussian-type valence basis sets for calculations involving non-empirical core pseudopotentials. Molecular Physics 65:2, pages 295-312.
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Cesare Pisani. (1987) Hartree-Fock ab initio approaches to the solution of some solid-state problems: state of the art and prospects. International Reviews in Physical Chemistry 6:4, pages 367-384.
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Articles from other publishers (7)

A. H. Harker. 1997. Computer Modelling of Electronic and Atomic Processes in Solids. Computer Modelling of Electronic and Atomic Processes in Solids 181 192 .
Martin Head‐Gordon & John C. Tully. (1992) Vibrational relaxation on metal surfaces: Molecular‐orbital theory and application to CO/Cu(100). The Journal of Chemical Physics 96:5, pages 3939-3949.
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C. R. A. Catlow & Geoffrey D. Price. (1990) Computer modelling of solid-state inorganic materials. Nature 347:6290, pages 243-248.
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C. Pisani, R. Dovesi, R. Nada & L. N. Kantorovich. (1990) A b   i n i t i o Hartree–Fock perturbed-cluster treatment of local defects in crystals . The Journal of Chemical Physics 92:12, pages 7448-7460.
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A J Fisher. (1988) Methods of embedding for defect and surface problems. Journal of Physics C: Solid State Physics 21:17, pages 3229-3249.
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A. J. Fisher. (1987) A comparison of techniques for embedding defect cluster calculations. Theoretica Chimica Acta 72:4, pages 319-324.
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Cesare Pisani & Roberto Dovesi. (1987) Problems and prospects in the ab initio treatment of pure and defective crystals. Theoretica Chimica Acta 72:4, pages 277-289.
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