International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

March 1983

Volume 23, Issue 3

Pages fmi–fmii, v–v, 779–1119

  1. Masthead

    1. Top of page
    2. Masthead
    3. Editorial
    4. Articles
    1. You have free access to this content
      Masthead (pages fmi–fmii)

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230301

  2. Editorial

    1. Top of page
    2. Masthead
    3. Editorial
    4. Articles
    1. Editorial comments (page v)

      Per-Olov Löwdin, John R. Sabin and Michael Zerner

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230302

  3. Articles

    1. Top of page
    2. Masthead
    3. Editorial
    4. Articles
    1. Momentum space properties of atoms (pages 811–820)

      Anjali Harmalkar, Alfredo M. Simas, Vedene H. Smith Jr. and William M. Westgate

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230305

    2. C2V Insertion pathway for BeH2: A test problem for the coupled-cluster single and double excitation model (pages 835–845)

      George D. Purvis III, Ron Shepard, Franklin B. Brown and Rodney J. Bartlett

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230307

    3. Improved SCF interaction energy decomposition scheme corrected for basis set superposition effect (pages 847–854)

      W. A. Sokalski, S. Roszak, P. C. Hariharan and Joyce J. Kaufman

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230308

    4. Contracted CI calculations of models for catalytic reactions involving transition metals (pages 855–863)

      M. Blomberg, U. Brandemark, L. Pettersson and P. Siegbahn

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230309

    5. Scattering in view of the Titchmarsh–Weyl theory (pages 865–874)

      Magnus Rittby, Nils Elander and Erkki Brändas

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230310

    6. Hypervirial theorems for some simple quantum chemistry systems (pages 915–919)

      Francisco M. Fernández and Eduardo A. Castro

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230315

    7. Ab initioMO investigation of the ethanolamine–formic acid complex (pages 945–952)

      T. Šolmajer, M. Hodošček and Professor D. Hadži

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230317

    8. Multiconfigurational Hartree–Fock response functions (pages 959–971)

      Poul Jørgensen, Peter Swanstrøm, Danny L. Yeager and Jeppe Olsen

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230319

    9. Application of the many-body perturbation theory by using localized orbitals (pages 981–990)

      Ede Kapuy, Zoltán Csépes and Cornelia Kozmutza

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230321

    10. Scaling in pseudopotential theory (pages 1017–1024)

      R. Gáspár

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230325

    11. Application of AGP wave functions to the ground states of Li2 and CH+ (pages 1047–1056)

      Nils Elander, Erland Sangfelt, Henry Kurtz and Osvaldo Goscinski

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230328

    12. Structure of dislocation cores in the silicon crystal (pages 1057–1063)

      S. L. Altmann, A. Lapiccirella and K. W. Lodge

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230329

    13. Exchange, correlation, and band gaps in conjugated linear chains (pages 1065–1072)

      J. M. André, J. L. Brédas, B. Thémans and L. Piela

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230330

    14. Theoretical studies of molecular adsorption on metal surfaces (pages 1083–1090)

      B. I. Lundqvist, B. Hellsing, S. Holmström, P. Nordlander, M. Persson and J. K. Nørskov

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230332

    15. Hindered internal rotations in Van der Waals molecules and molecular crystals (pages 1091–1100)

      W. J. Briels, J. Tennyson, M. Claessens, Th. Van Der Lee and A. Van Der Avoird

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230333

    16. Electron localization in a finite one-dimensional chain (pages 1101–1109)

      Kazuyoshi Tanaka, Masataka Nagaoka and Tokio Yamabe

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230334

    17. Excited states of linear polyenes in the SCFRPA method (pages 1111–1119)

      Marcello Baldo, Renato Pucci and Pasquale Tomasello

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230335

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