International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Supplement: Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods

12 March 1987

Volume 32, Issue S21

Pages fmi–fmi, 1–766

  1. Masthead

    1. Top of page
    2. Masthead
    3. Introduction
    4. List of Participants
    5. Articles
    6. Abstracts
    1. You have free access to this content
      Masthead (page fmi)

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320701

  2. Introduction

    1. Top of page
    2. Masthead
    3. Introduction
    4. List of Participants
    5. Articles
    6. Abstracts
    1. You have free access to this content
      Introduction (page 1)

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

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320702

  3. List of Participants

    1. Top of page
    2. Masthead
    3. Introduction
    4. List of Participants
    5. Articles
    6. Abstracts
    1. You have free access to this content
      List of participants (pages 3–11)

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320703

  4. Articles

    1. Top of page
    2. Masthead
    3. Introduction
    4. List of Participants
    5. Articles
    6. Abstracts
    1. Theory of quasiparticle energies: Band gaps and excitation spectra in solids (pages 31–44)

      Steven G. Louie and Mark S. Hybertsen

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320706

    2. n-Point green's functions in the Anderson model (pages 55–64)

      F. Mancini, M. Marinaro and Y. Nakano

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320708

    3. Ground state electronic properties of Fe-B complex pair in silicon (pages 89–97)

      L. V. C. Assali and J. R. Leite

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320712

    4. The influence of hydrogen in the magnetism of Pd3Fe (pages 99–103)

      E. Z. Da Silva and C. A. Kuhnen

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320713

    5. Band structure of silicon by the self-consistent variational cellular method (pages 105–113)

      A. T. Lino, E. K. Takahashi, J. R. Leite and A. C. Ferraz

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320714

    6. Perturbational approach to aperiodicity of polymer systems (pages 137–151)

      Akira Imamura and Yuriko Aoki

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320717

    7. Spectroscopic analysis of the conformations of polyaniline oligomers (pages 153–162)

      C. B. Duke, A. Paton and W. R. Salaneck

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320718

    8. Density functional theory formalism (pages 171–180)

      Jaime Keller and Eduardo Ludeña

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320720

    9. Scattering of fast electrons and X-rays from CO2 molecules (pages 217–227)

      Arvind Kumar Jain, A. N. Tripathi, Vedene H. Smith Jr. and Ajit J. Thakkar

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320724

    10. Electron transfer in a microscopically inhomogeneous medium (pages 313–319)

      Ilya Rips and Joshua Jortner

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320733

    11. A dynamical approach to electron transfer reactions (pages 321–339)

      E. Deumens, Y. Öhrn and L. Lathouwers

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320734

    12. Long-range interactions between probes, particles, and surfaces (pages 363–375)

      R. H. Ritchie and J. R. Manson

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320737

    13. Rotational predissociation dynamics in weakly bound molecular systems: The Ar[BOND]N2 and Ar[BOND]O2 examples (pages 389–405)

      F. A. Gianturco, G. Delgado-Barrio, O. Roncero and P. Villarreal

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320739

    14. Solution of the integral Dirac equation in momentum space (pages 417–423)

      Yasuyuki Ishikawa, Wilfredo Rodriguez and S. A. Alexander

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320741

    15. The Husimi function for electron distributions (pages 435–456)

      Mark E. Casida, John E. Harriman and James L. Anchell

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320743

    16. Electron affinities of states of Sc and Cu (pages 457–468)

      Donald R. Beck, Ziyong Cai and George Aspromallis

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320744

    17. Geometry optimization of organometallic complexes: A study of basis sets (pages 503–512)

      Rodney L. Williamson and Michael B. Hall

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320749

    18. A new symmetric group program for direct configuration interaction studies of molecules (pages 513–521)

      Annette Guldberg, Sten Rettrup, Gian Luigi Bendazzoli and Paolo Palmieri

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320750

    19. Studies in the paired orbital method. I (pages 533–538)

      R. Pauncz, B. Kirtman and W. E. Palke

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320752

    20. Excited state properties utilizing effective core potentials (pages 539–545)

      Patricia A. Kilzer and Henry A. Kurtz

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320753

    21. Some comments on the alteration of the Coulomb bound states by a barrier perturbation (pages 555–562)

      Mario A. Natiello, Erkki J. Braändas and Alejandro R. Engelmann

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320755

    22. Electron localization in clusters (pages 573–587)

      Uzi Landman, R. N. Barnett, C. L. Cleveland, Dafna Scharf and Joshua Jortner

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320758

    23. On the hybridization in some archimedean carbon clusters (pages 589–593)

      K. Kovačević, A. Graovac and D. Babić

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320759

    24. Properties of the BCl molecule studied by fourth-order many-body perturbation theory (pages 595–602)

      Florian Müller-Plathe and Geerd H. F. Diercksen

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320760

    25. Ab initio studies of hyponitrous acid (pages 603–612)

      Richard E. Brown, G. David Mendenhall and Rodney J. Bartlett

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320761

    26. Study of the conformation of the dilithioacetylene molecule (pages 613–621)

      Andrzej Jaworski, Willis B. Person, Ludwik Adamowicz and Rodney J. Bartlett

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320762

    27. Closed formulas for one- and two-center harmonic oscillator integrals (pages 729–735)

      A. Palma, L. Sandoval and J. Morales

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320771

  5. Abstracts

    1. Top of page
    2. Masthead
    3. Introduction
    4. List of Participants
    5. Articles
    6. Abstracts
    1. Approach to equilibrium and Lyapunov converters (pages 749–750)

      Juraj Kumičák and Erkki Brändas

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320774

    2. Quantum chemical calculations on ion pairs. II. Structure of haloacetic acids in aqueous solution (pages 753–754)

      Renato R. Contreras, Arie Aizman, Demian Morales and Maria E. Llanos

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320776

    3. An exact projection method for the lowest eigenstate of singular multidimensional Schrödinger equations (page 755)

      Daniel Bessis, Carlos R. Handy and T. Morley

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320777

    4. Many-body studies of the structure and spectra of CO3 (pages 759–760)

      Sylvio Canuto and Geerd H. F. Diercksen

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320779

    5. Experimental and theoretical studies of the stabilities and infrared spectra of the cytosine tautomers (pages 763–764)

      Józef S. Kwiatkowski, Willis B. Person, Krystyna Szczepaniak and Marian Szcześniak

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320781

    6. Experimental and theoretical studies of tautomers of nucleic acid bases (pages 765–766)

      Willis B. Person, Krystyna Szczepaniak, Marian Szczesniak, Jozef S. Kwiatkowski and Luis Hernandez

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560320782

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