International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

December 1991

Volume 40, Issue 6

Pages fmi–fmi, 721–887

  1. Masthead

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

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400601

  2. Introduction

    1. Top of page
    2. Masthead
    3. Introduction
    4. Articles
    1. You have free access to this content
      Introduction (pages 721–722)

      Jan Almlöf, Ron Shepard and Robert Harrison

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400602

  3. Articles

    1. Top of page
    2. Masthead
    3. Introduction
    4. Articles
    1. Ab initio SCF calculations on [V10O28]6−: A benchmark for the classical calculation and processing of molecular integrals on large Gaussian basis sets (pages 723–743)

      Marie-Madeleine Rohmer, René Ernenwein, Michel Ulmschneider, Roland Wiest and Marc Benard

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400603

    2. Two-electron repulsion integrals over Gaussian s functions (pages 745–752)

      Peter M. W. Gill, Benny G. Johnson and John A. Pople

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400604

    3. The prism algorithm for two-electron integrals (pages 753–772)

      Peter M. W. Gill and John A. Pople

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400605

    4. Spin-orbit (core) and core potential integrals (pages 773–780)

      Russell M. Pitzer and Nicholas W. Winter

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400606

    5. A contracted bromine basis set for use in calculation of molecular energies (pages 781–787)

      L. A. Curtiss and R. C. Binning Jr.

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400607

    6. Optimized Gaussian basis sets for use with relativistic effective (core) potentials: Li[BOND]Ar (pages 789–796)

      Nora M. Wallace, Jean P. Blaudeau and Russell M. Pitzer

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400608

    7. Ab initio methods for large systems (pages 797–807)

      Itai Panas, Jan Almlöf and Martin W. Feyereisen

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400609

    8. Exact and approximate solutions to the one-center McMurchie–Davidson tree-search problem (pages 809–827)

      Benny G. Johnson, Peter M. W. Gill and John A. Pople

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400610

    9. Ab initio relativistic effective potentials with spin-orbit operators. VI. Fr through Pu (pages 829–846)

      W. C. Ermler, R. B. Ross and P. A. Christiansen

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400611

    10. Portable tools and applications for parallel computers (pages 847–863)

      Robert J. Harrison

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560400612

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