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Development of a size-consistent energy functional for open shell states

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References

  1. Sinanoğlu, O. J.: Chem. Phys.36, 706 (1962); Sinanoğlu, O.: Adv. Chem. Phys. 315 (1964); Sinanoğlu, O.: in Three approach to electron correlation in atoms. New Haven and London; Yale University Press 1970

    Google Scholar 

  2. Cizek, J. J.: Chem. Phys.45, 4256 (1966); Adv. Chem. Phys.14, 35 (1969)

    Google Scholar 

  3. Cizek, J., Paldus, J., Shavitt, I.: Phys. Rev.A5, 50 (1972); Pople, J. A., Krishnan, R., Schlegel, H. B., Binkley, J. S.: Int. J. Quantum Chem.14, 545 (1978); Bartlett R. J., Purvis, G. D.: Int. J. Quantum Chem.13, 561 (1976)

    Google Scholar 

  4. Kutzelnigg, W.: in Methods of electronic structure theory, p. 129, H. F. Schaefer III, ed., New York: Plenum 1977

    Google Scholar 

  5. Primas, H.: in Modern quantum chemistry, Vol. 2, p. 45, Sinanoğlu, O., ed. New York: Academic Press (1965)

    Google Scholar 

  6. Pople, J. A., Binkley, J. S., Seeger, R.: Int. J. Quantum Chem.S10, 1 (1976)

    Google Scholar 

  7. Silverstone, H. J., Sinanoğlu, O.: J. Chem. Phys.44, 1899; 3608 (1966); J. Chem. Phys.46, 854 (1967)

    Google Scholar 

  8. Mukherjee, D., Moitra, R. K., Mukhopadhyay, A.: Pramana,4, 247 (1975); Mol. Phys.30, 1861 (1975)

    Google Scholar 

  9. Mukherjee, D., Moitra, R. K., Mukhopadhyay, A.: Mol. Phys.33, 955 (1977); Ind. J. Pure Appl. Phys.15, 613 (1977); Mukhopadhyay, A., Moitra, R. K., Mukherjee, D.: J. Phys.B12, 1 (1979)

    Google Scholar 

  10. Offermann, R., Ey, W., Kummel, H.: Nucl. Phys.A273, 349 (1976); Offermann R. Nucl. Phys.A273, 368 (1976)

    Google Scholar 

  11. Lindgren, I.: Int. J. Quantum Chem.S12, 33 (1978)

    Google Scholar 

  12. Jeziorski, B., Monkhorst, H.: Phys. Rev.A24, 1668 (1981)

    Google Scholar 

  13. Reitz, H., Kutzelnigg, W.: Chem. Phys. Lett.66, 111 (1979)

    Google Scholar 

  14. Ey, W.: Nucl. Phys.A296, 189 (1978)

    Google Scholar 

  15. Soliverez, E.: Phys. Rev.A24, 4 (1981); Kvasnicka, V.: Chem. Phys. Lett.79, 89 (1981)

    Google Scholar 

  16. Mukherjee, D., Mukherjee, P. K.: Chem. Phys.39, 325 (1979); Adnan, S. S. Z., Bhattacharyya, S., Mukherjee, D.: Mol. Phys.39, 519 (1980); Ghosh, S., Mukherjee, D., Bhattacharyya, S.: Mol. Phys. 43, 173 (1981); Ghosh, S., Mukherjee, D., Bhattacharyya, S.: Chem. Phys.72, 161 (1982)

    Google Scholar 

  17. Paldus, J., Cizek, J., Saute, M., Laforgue, A.: Phys. Rev.A17, 805 (1978)

    Google Scholar 

  18. Nakatsuji, H.: Chem. Phys. Lett.59, 362 (1978)

    Google Scholar 

  19. Pal, S., Durga Prasad, M., Mukherjee, D.: Theoret. Chim. Acta (Berl.)62, 523 (1983)

    Google Scholar 

  20. Mukherjee, D.: Pramana,12, 203 (1979)

    Google Scholar 

  21. Pal, S., Durga Prasad, M., Mukherjee, D.: Pramana,18, 261 (1982)

    Google Scholar 

  22. Elbaz, E., Castel, B.: Graphical methods of spin algebras. New York: Marcel Dekker 1972

    Google Scholar 

  23. Bloch, C., Horowitz, J.: Nucl. Phys.8, 91 (1958)

    Google Scholar 

  24. Morita, T.: Prog. Theoret Phys.29, 351 (1963)

    Google Scholar 

  25. Oberlechner, G., Owono N-Guema, F., Richert, J.: Nuovo CimentoB68, 23 (1970)

    Google Scholar 

  26. Kuo, T. T. S., Lee, S. Y., Ratclifi, K. F.: Nucl. Phys.A126, 65 (1971)

    Google Scholar 

  27. Johnson, M. B., Baranger, M.: Ann. Phys. (N.Y.)62, 172 (1971)

    Google Scholar 

  28. Banerjee, A., Mukherjee, D., Simons, J.: J. Chem. Phys.76, 1972; 1979; 1995 (1982)

  29. Brandow, B. H.: Rev. Mod. Phys.39, 771 (1967)

    Google Scholar 

  30. Sanders, P. G. H.: Adv. Chem. Phys.14, 365 (1969)

    Google Scholar 

  31. Lindgren, I.: J. Phys.B7, 2441 (1974)

    Google Scholar 

  32. Kvasnicka, V.: Phys. Rev.A12, 1159 (1975)

    Google Scholar 

  33. Hose, G., Kaldor, U.: J. Phys.B12, 3827 (1979)

    Google Scholar 

  34. Bloch, C.: Nucl. Phys.7, 451 (1958)

    Google Scholar 

  35. Haque, A.: Ph.D. Thesis, Calcutta University 1984.

  36. Kutzelnigg, W.: J. Chem. Phys.77, 3081 (1982); Kutzelnigg, W., Koch, S.: J. Chem. Phys.79, 4315 (1983); Kutzelnigg, W.: J. Chem. Phys.80, 822 (1984)

    Google Scholar 

  37. Hendekovic, J.: Chem. Phys. Lett.90, 198 (1982)

    Google Scholar 

  38. Primas, H.: Helv. Phys. Acta.34, 331 (1961)

    Google Scholar 

  39. Brandow, B.: Int. J. Quantum Chem.15, 207 (1979)

    Google Scholar 

  40. Haque, M. A., Mukherjee, D.: J. Chem. Phys.80, 5058 (1984)

    Google Scholar 

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Author notes

  1. Debashis Mukherjee

    Present address: Theoretical Chemistry Group, Physical Chemistry Division, National Chemical Laboratory, 411008, Pune, India

Authors and Affiliations

  1. Theory Group, Department of Physical Chemistry, Indian Association for the Cultivation of Science, 700 032, Calcutta, India

    Sourav Pal, M. Durga Prasad & Debashis Mukherjee

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  1. Sourav Pal
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  2. M. Durga Prasad
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  3. Debashis Mukherjee
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Pal, S., Durga Prasad, M. & Mukherjee, D. Development of a size-consistent energy functional for open shell states. Theoret. Chim. Acta 66, 311–332 (1984). https://doi.org/10.1007/BF00554787

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