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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 33, 1977 - Issue 4
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Original Articles

Applications of a non-perturbative many-body formalism to general open-shell atomic and molecular problems: calculation of the ground and the lowest π-π* singlet and triplet energies and the first ionization potential of trans-butadiene

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Pages 955-969 | Received 02 Aug 1976, Published online: 22 Aug 2006

References

  • Mukherjee , D. , Moitra , R.K. and Mukhopadhyay , A. 1975 . Molec. Phys. , 30 : 1861 – 1861 .
  • Mukherjee , D. , Moitra , R.K. and Mukhopadhyay , A. 1975 . Pramana , 4 : 247 – 247 .
  • See, for example, the formalism developed by Brandow B.H. Rev. mod. Phys. 1967 39 771 771 Oberlechner, G., Owono-N-Guema, F., and Richert, J., 1970, Nuovo Cim. B, 68, 23. Johnson, M. B., and Baranger, M., 1971, Ann. Phys., 62, 172. Kuo, T. T. S., Lee, S. Y., and Ratcliffe, K. F., 1971, Nucl. Phys. A, 176, 65. Kvasnička, V., 1974, Czech. J. Phys. B, 24, 605. Sanders, P. G. H., 1969, Adv. chem. Phys., 14, 365. Lindgren, I., 1974, J. Phys. B, 7, 2441.
  • For applications of some of the formalisms of reference [3] to molecular energy level calculations, see Kaldor U. Phys. Rev. Lett. 1973 31 1338 1338 1975, J. chem. Phys., 63, 2199. Kvasnička, V., Holubec, A., and Hubac, I., 1974, Chem. Phys. Lett., 24, 361. Kvasnička, V., and Hubac, I., 1974, J. chem. Phys., 60, 4483.
  • Čižek , J. 1966 . J. chem. Phys. , 45 : 4256 – 4256 . 1969, Adv. chem. Phys., 14, 35. Paldus, J., and Čižek, J., 1975, Adv. quant. Chem., 9, 105.
  • Hugenholtz , N.M. 1957 . Physica , 23 : 481 – 481 .
  • Wigner , E. 1959 . Group Theory and its Applications to the Quantum Mechanics of Atomic Spectra , Academic Press .

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