Abstract
Since the first theoretical workds of the sixties (1) on LCAO techniques in polymer quantum chemistry, the field has known a rapid development.
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References
André, J.-M., Gouverneur, L. and Leroy, G. 1967, Int. J. Quantum Chem. 1, 427.
André, J.-M., Gouverneur, L. and Leroy, G. 1967, Int. J. Quantum Chem. 1, 451.
Del Re, G., Ladik, J. and Biczó, G. 1967, Phys. Rev. 155, 997.
André, J.-M. 1969, J. Chem. Phys. 50, 1536.
André, J.-M. 1970, Comput. Phys. Commun. 1, 391.
Kertesz, M., 1976, Acta Phys. Acad. Sci. Hung. 41, 127.
Suhai, S. and Ladik, J. 1977, Solid State Commun. 22, 227.
Otto, P., Clementi, E. and Ladik, J. 1982, IBM Technical Report P0K-13.
Karpfen, A. 1981, Int. J. Quantum Chem. 19, 1207.
Kertesz, M. 1982, Advan. Quantum Chem. 15, 161.
a. Brédas, J.L. 1979, Ph.D. Thesis, Namur.
Brédas, J.L., André, J.M., Fripiat, J.G. and Delhalle, J. 1978, Gazz. Chim. Ital. 108, 307.
Brédas, J.L., André, J.M. and Delhalle, J. 1980, Chem. Phys. 45, 109.
a. Piela, L. and Delhalle, J. 1978, Int. J. Quantum Chem. 13, 605.
Piela, L. and Delhalle, J. 1978, Ann. Soc. Sci. Bruxelles 92, 42.
Piela, L. in “Recent Advances in the Quantum Theory of Polymers”, André, J.M. et al., Eds., Lecture Notes in Physics, vol. 113, (Springer Verlag, Berlin, 1980), pp 104 et sq.
Delhalle, J., Piela, L., Brédas, J.L. and André, J.M. 1980, Phys. Rev. B22, 6254.
Karpfen, A. and Schuster, P. 1976, Chem. Phys. Lett. 44, 459.
Karpfen, A. 1978, Theoret. Chim. Acta 50, 49.
Beyer, A. and Karpfen, A., 1982, Chem. Phys. 64, 343.
Suhai, S. 1980, J. Chem. Phys. 73, 3843.
Löwdin, P.O. 1956, Advan. Phys. 5, 1.
a. Pisani, C. and Dovesi, R. 1980, Int. J. Quantum Chem. 17, 501. b. Dovesi, R., Pisani, C. and Roetti, C. 1980, Int. J. Quantum
Dovesi, R., Pisani, C. and Roetti, C. 1980, Int. J. Quantum Chem. 17, 517
0’Shea, F. and Santry, D.P. 1974, Chem. Phys. Lett. 25, 164.
Ukrainski, I.I. 1975, Theoret. Chim. Acta. 38, 139.
Delhalle, J., André, J.M., Demanet, Ch. and Brédas, J.L. 1978, Chem. Phys. Lett. 54, 186.
Delhalle, J. and Harris, F.E., to be published.
Piela, L., Andre, J.M., Fripiat, J.G. and Delhalle, J. 1981, Chem. Phys. Lett. 77, 143.
André, J.M., Bredas, J.L., Themans, B. and Piela, L. 1983, Int. J. Quantum Chem. 23, 1065.
Monkhorst, H.J. and Kertesz, M. 1981, Phys. Rev. B24, 3015.
Hermann, C. 1928, Z. Kristallogr. 69, 250.
Alexander, E. 1929, Z. Kristallogr. 70, 367.
Vujicić, M., Bozović, I.B. and Herbut, F. 1977, J. Phys. A10, 1271.
McCubbin, W.L. 1966, Phys. Status Solidi 16, 289.
Blumen, A. and Merkel, C. 1977, Phys. Status Solidi B83, 425.
Bozović, I.B., Vujicić, M. and Herbut, F. 1978, J. Phys. A 11, 2133.
c. Bozović, I.B., Delhalle, J. and Damnjanović, M. 1981, Int. J. Quantum Chem. 20, 1143.
d. Bozović, I.B. and Delhalle, J. to be published.
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André, JM., Bodart, V.P., Brédas, J.L., Delhalle, J., Fripiat, J.G. (1984). Towards Specific AB Initio Programs for Polymer Calculations. In: Ladik, J., André, JM., Seel, M. (eds) Quantum Chemistry of Polymers — Solid State Aspects. NATO ASI Series, vol 123. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-6366-5_1
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DOI: https://doi.org/10.1007/978-94-009-6366-5_1
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