International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods

13/20 March 1993

Volume 48, Issue S27

Pages fmi–fmi, ix–xxvii, 1–826

  1. Masthead

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

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480801

  2. Introduction

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

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

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480802

  3. List of Participants

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

    1. Top of page
    2. Masthead
    3. Introduction
    4. List of Participants
    5. Articles
    1. My life as a physicist: Memories and perspectives (pages 1–11)

      Clemens C. J. Roothaan

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480804

    2. New algorithms for calculating 3n-j symbols (pages 13–24)

      Clemens C. J. Roothaan

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480805

    3. Statistical electron correlation coefficients for 29 states of the heliumlike ions (pages 33–42)

      Natalie Mary Cann, Russell J. Boyd and Ajit J. Thakkar

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480807

    4. Investigation of the correlation energy component of the intermolecular interaction energy (pages 43–50)

      E. Kapuy, F. Bogár, C. Kozmutza and E. Tfirst

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480808

    5. On the removal of the exchange singularity in extended systems (pages 81–89)

      Gerrard Aissing and Hendrik J. Monkhorst

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480811

    6. In memoriam Michael Andreas Schlüter 1945-1992 (pages 91–92)

      Lothar Fritsche, Henk Monkhorst and Sam Trickey

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480812

    7. Ab initio investigation of void stabilization: Oxygen in Nickel (pages 163–173)

      Randall C. Boehm and Ajit Banerjee

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480819

    8. V4+ doping into SiO2, ZrO2 and ZrSiO4 structures. An ab initio perturbed ion study (pages 175–186)

      J. Andrés, A. Beltrán, J. Carda and G. Monrós

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480820

    9. Electronic states induced by a Ga vacancy in the GaAs1−xPx alloy (pages 213–217)

      L. M. R. Scolfaro, R. Pintanel, A. Fazzio and J. R. Leite

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480823

    10. Electronic stopping power for protons in an LiF monolayer (pages 219–226)

      J. Z. Wu, S. B. Trickey and J. R. Sabin

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480824

    11. Rules for intrinsically (super) conducting polymers (pages 245–248)

      Gerrard Aissing, Hendrik J. Monkhorst and Chengzheng Hu

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480826

    12. Energetics of small clusters of stabilized jellium: Continuum and shell-structure effects (pages 249–261)

      Marta Brajczewska, Carlos Fiolhais and John P. Perdew

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480827

    13. Density-Functional and ab initio computational studies of palladium clusters (pages 263–268)

      Jorge M. Seminario, Monica C. Concha and Peter Politzer

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480828

    14. Basis set dependence of ab-initio calculated vibration frequencies (pages 331–341)

      Michaela Flock and Michael Ramek

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480834

    15. Double and quadruple zeta contracted Gaussian basis sets for hydrogen through neon (pages 343–354)

      Ajit J. Thakkar, Toshikatsu Koga, Maki Saito and Ruth E. Hoffmeyer

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480835

    16. Properties of the two-electron ionization ladder and related good quantum numbers (pages 399–406)

      Yannis Komninos, Spyros Themelis, Michael Chrysos and Cleanthes A. Nicolaides

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480840

    17. Success and pitfalls of the dielectric continuum model in quantum chemical calculations (pages 451–466)

      Alex H. De Vries, Piet Th. Van Duijnen and André H. Juffer

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480844

    18. Instability in chemical bonds. II. Theoretical studies of exchange-coupled open-shell systems (pages 501–515)

      K. Yamaguchi, M. Okumura, K. Takada and S. Yamanaka

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480848

    19. Quantum wavepacket dynamics for the 1Σ+ states of boron hydride (pages 517–526)

      J. Broeckhove, B. Feyen, P. Van Leuven, R. Cimiraglia and M. Persico

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480849

    20. Theoretical study of the reaction of Cd(1S, 3P, 1P) with the methane molecule (pages 587–598)

      S. Castillo, A. Ramírez-solís and E. Poulain

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480853

    21. Partial widths of feshbach funnel resonances in the Na(3p) · H2 exciplex (pages 621–632)

      Steven L. Mielke, Gregory J. Tawa, Donald G. Truhlar and David W. Schwenke

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480856

    22. Critical test of PM3-calculated proton affinities (pages 633–641)

      Peeter Burk, Koit Herodes, Ivar Koppel and Ilmar Koppel

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480857

    23. ZnO clusters models: An AM1 and MNDO study (pages 643–653)

      J. B. L. Martins, J. Andrès and E. Longo

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480858

    24. Quantum defect orbital study of electron transitions in rydberg molecules. I. Triatomic hydrogen (pages 723–729)

      I. Martin, J. Karwowski, G. H. F. Diercksen and C. Lavin

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480864

    25. Ab initio study of the ground and excited states of LiNe (pages 731–741)

      Joanna Sadlej and W. Daniel Edwards

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480865

    26. Atomistic simulations on parallel architectures (pages 781–792)

      Rajiv K. Kalia, Wei Jin, Simon W. De leeuw, Aiichiro Nakano and Priya Vashishta

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480870

    27. Efficient computation of electron-repulsion integrals in ab initio studies of polymeric systems (pages 793–806)

      David H. Mosley, Joseph G. Fripiat, Benoît Champagne and Jean-Marie André

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560480871

SEARCH

SEARCH BY CITATION