International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Supplement: Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology

18/23 March 1985

Volume 28, Issue S19

Pages fmi–fmi, 1–752

  1. Masthead

    1. Top of page
    2. Masthead
    3. Articles
    4. Erratum
    1. Masthead (page fmi)

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280801

  2. Articles

    1. Top of page
    2. Masthead
    3. Articles
    4. Erratum
    1. Introduction (pages 1–2)

      P.O. Löwdin, N.Y. Öhrn, J.R. Sabin and M.C. Zerner

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280802

    2. List of participants: Part II (pages 5–14)

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280803

    3. Introductory remarks (pages 15–17)

      Johnny Andersson

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280804

    4. The AGP-based polarization propagator (pages 39–50)

      Yngve Öhrn

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280806

    5. Validity of the mass-velocity term in the Breit-Pauli hamiltonian (pages 61–68)

      Abbas Farazdel, William M. Westgate, Alfredo M. Simas, Robin P. Sagar and Vedene H. Smith Jr.

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280808

    6. Angular momentum adaptation of spinor basis (pages 69–77)

      J. S. Murty, R. S. Nikam and C. R. Sarma

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280809

    7. The projection operators of SU(2) and the Sanibel coefficients (pages 79–92)

      Zong-Hao Zeng and Chia-Chung Sun

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280810

    8. Factoring the characteristic polynomial (pages 107–127)

      M. Randić, B. Baker and A. F. Kleiner

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280812

    9. On the computation of characteristic polynomial of a chemical graph (pages 129–147)

      P. Křivka, Ž. Jeričević and N. Trinajstić

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280813

    10. An exact one-electron model of the helium atom ground state (pages 173–180)

      Geoffrey Hunter and Chin Chiu Tai

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280817

    11. Some applications of nonlinear convergence accelerators (pages 181–191)

      E. J. Weniger, J. Grotendorst and E. O. Steinborn

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280818

    12. Towards a modular system in computational quantum chemistry (pages 193–199)

      Gerardo Cisneros and Carlos F. Bunge

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280819

    13. Direct coupled cluster calculations on excited states (pages 217–220)

      Ludwik Adamowicz and Rodney J. Bartlett

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280821

    14. Direct restricted-step MCSCF calculations on the structure and spectrum of cyclobutadiene (pages 237–246)

      H. Ågren, N. Correia, A. Flores-Riveros and H. J. AA. Jensen

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280823

    15. Basis set study in pseudopotential method (pages 279–284)

      R. Gáspár and R. Gáspár Jr.

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280827

    16. Gaussian basis for the Dirac-Fock discrete basis expansion calculations (pages 285–295)

      Yasuyuki Ishikawa, Reinaldo Baretty and Robert C. Binning Jr.

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280828

    17. The hydrogen atom in the hydrogen molecule (pages 333–348)

      William H. Adams and Meredith M. Clayton

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280832

    18. Ionization energies of atomic systems obtained from nuclear and electronic charge scalings (pages 349–361)

      M. García-Sucre, R. Medina, I. Reif and G. J. Mata

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280833

    19. On time superoperator and dynamical fluctuations in photoemission (pages 369–382)

      C. A. Chatzidimitriou-Dreismann

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280835

    20. Models for the spectra of bridged mixed-valence dimers (pages 393–401)

      Mary Jo Ondrechen, Jaeju Ko and Li-Tai Zhang

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280837

    21. Pulsed laser optogalvanic spectroscopy of xenon in RF discharge (pages 403–410)

      D. Kumar, L. Klasinc, P. L. Clancy and S. P. McGlynn

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280838

    22. Quantum mechanical engineering of short range potentials (pages 411–419)

      A. E. S. Green, J. M. Schwartz and S. T. Suh

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280839

    23. Quantum chemical contribution to electron neutrino mass determination (pages 421–441)

      W. Kolos, B. Jeziorski, H. J. Monkhorst and K. Szalewicz

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280840

    24. On the inverse problem in quantum scattering theory (pages 457–466)

      Erkki Brändas, Erik Engdahl, Magnus Rittby and Nils Elander

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280842

    25. One- and two-electron transfer processes in ion-surface scattering (pages 477–489)

      Franco Battaglia, K. C. Liu and Thomas F. George

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280844

    26. Correlation energy for a slater determinant fitted to the electron density (pages 525–533)

      L. Cohen, C. Frishberg, Chongmoon Lee and L. J. Massa

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280847

    27. Electronic structure of small sodium clusters (pages 603–612)

      N. E. Brener, J. Callaway and P. Blaha

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280854

    28. Electron energy loss spectroscopy of surface and interface phonons of insulators, semiconductors, and superlattices (pages 687–705)

      A.A. Lucas, J.P. Vigneron, P.H. Lambin, P.A. Thiry, M. Liehr, J.J. Pireaux and R. Caudano

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280860

    29. Overview of Hückel- and resonance-theoretic approaches to π-network polymers (pages 707–718)

      D. J. Klein, T. G. Schmalz, W. A. Seitz and G. E. Hite

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280861

    30. The protonic counterpart of electronegativity (pages 731–732)

      Lawrence L. Lohr

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280864

    31. Structures and spectra of triatomic Silicon-Carbon Compounds (pages 735–736)

      G. H. F. Diercksen, N. E. Grüner, John R. Sabin and Jens Oddershede

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280866

    32. On the nonlinear schrödinger equation (pages 739–740)

      A. B. Datseff

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280868

    33. Properties of the exact universal density and one-matrix functionals (pages 743–744)

      Mel Levy and John P. Perdew

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280870

    34. Theoretical photoelectron spectra using local-density function results (page 745)

      J. W. Mintmire, F. W. Kutzler and C. T. White

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280871

  3. Erratum

    1. Top of page
    2. Masthead
    3. Articles
    4. Erratum
    1. You have free access to this content
      Erratum: A generalized non-muffin-tin theory of band structure (pages 751–752)

      Robert G. Brown and Mikael Ciftan

      Version of Record online: 19 JUN 2009 | DOI: 10.1002/qua.560280874

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