International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Supplement: Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory

16/21 January 1967

Volume 1, Issue S1

Pages fmi–fmi, 1–847

  1. Masthead

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

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010601

  2. Articles

    1. Top of page
    2. Masthead
    3. Articles
    1. Quantum physics in America between the wars (pages 1–23)

      J. C. Slater

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010602

    2. Many-body perturbation theory for atoms (pages 25–35)

      Hugh P. Kelly

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010603

    3. On the analytic solution of the first-order perturbed wave function of the two-electron atom (pages 61–66)

      Ronald J. White and W. Byers Brown

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010606

    4. Quadrupole antishielding factors for ions and atomic states (pages 67–80)

      R. M. Sternheimer

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010607

    5. Equivalence restrictions and the brillouin condition for hartree–fock wave functions (pages 81–87)

      K. Douglas Carlson and Donald R. Whitman

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010608

    6. Some applications of atomic analytical wave functions (pages 89–94)

      M. Synek, L. Corsiglia, R. Repka and P. Grossgut

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010609

    7. Nuclear magnetic shielding constants calculated from numerical hartree-fock wave functions (pages 95–98)

      Gulzari Malli and Charlotte Froese

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010610

    8. Diamagnetic susceptibilities calculated from numerical hartree-fock wave functions (pages 99–101)

      Gulzari Malli and Charlotte Froese

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010611

    9. Fermi contact interaction constants calculated from numerical hartree-fock wave functions (pages 111–114)

      Gulzari Malli and Charlotte Froese

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010613

    10. Recent progress beyond the hartree-fock method for diatomic molecules: The method of optimized valence configurations (pages 123–152)

      Arnold C. Wahl, Peter J. Bertoncini, G. Das and T. L. Gilbert

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010615

    11. The calculation of the electric dipole moment of CO (pages 153–161)

      F. Grimaldi, A. Lecourt and C. Moser

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010616

    12. Remark on the analytical form of Isorbitals in atoms and molecules (pages 163–165)

      John H. Weare and Robert G. Parr

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010617

    13. Some one-center calculations for he2 at small internuclear distances2 (pages 167–169)

      K. Kay and A. G. Turner

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010618

    14. The two proton vibrational states in nucleic acid hydrogen bonds (pages 171–174)

      Robert Rein and SaŠa Svetina

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010619

    15. Singlet oxygen molecules and carcinogenic aromatic hydrocarbons (pages 175–178)

      Louis Chopin Cusachs and Richard H. Steele

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010620

    16. Carcinogenic activity and the spectra of aromatic hydrocarbons (pages 179–186)

      Richard H. Steele, Louis Chopin Cusachs and S. P. Mcglynn

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010621

    17. Electrostatic contribution to the internal rotational barrier in ethane (pages 197–198)

      Reino W. Hakala and Alfred E. Fields

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010623

    18. The influence of chemical substitution on inner shells (pages 199–203)

      Tae-Kyu Ha and Leland C. Allen

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010624

    19. Wellenmechanische strukturuntersuchungen am lithiumcyclopentadienyl (LiC5H5) (pages 205–208)

      R. Janoschek, G. Diercksen and H. Preuss

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010625

    20. Wellenmechanische strukturuntersuchung am benzol (pages 209–216)

      R. Janoschek, H. Preuss and G. Diercksen

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010626

    21. Spin valence theory is a directional theory of valence (pages 217–223)

      Karl Heinz Hansen

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010627

    22. The d orbitals of second-row elements (pages 225–231)

      D. W. J. Cruickshank, B. C. Webster and M. A. Spinnler

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010628

    23. Semiempirical studies of metal complexes of biological importance (pages 233–246)

      I. Fischer-Hjalmars, B. Grabe, B. Roos, P. N. Skancke and M. Sundbom

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010629

    24. The omega technique LCAO—MO calculations for the hydrogen phthalocyanine molecules (pages 247–250)

      S. C. Mathur and E. G. Mckannan

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010630

    25. Theoretical treatment of hydrogen abstraction by hot tritium atoms (pages 261–276)

      Joyce J. Kaufman, Jerome J. Harkins and Walter S. Koski

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010632

    26. Estimation of relative free enthalpies of activation by hmo methods (pages 285–292)

      O. E. Polansky and P. Schuster

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010634

    27. Recent progress in approximate self-consistent-field theory (pages 293–305)

      J. A. Pople, D. L. Beveridge and N. S. Ostlund

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010635

    28. Chemistry and computers (pages 307–312)

      Enrico Glementi

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010636

    29. Correlation and the one-center method (page 327)

      Antony F. Saturno and Ronald M. Rutledge

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010638

    30. Open-shell valence configuration-interaction studies of diatomic and polyatomic molecules (pages 329–338)

      F. E. Harris and H. H. Michels

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010639

    31. Born–oppenheimer approach to the vibronic structure of molecular dimers (pages 339–350)

      R. Lefebvre and M. Garcia Sucre

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010640

    32. The nature of electron correlation in molecules (pages 351–359)

      R. Mcweeny

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010641

    33. Bounds for semiempirical resonance integral approximations (pages 419–421)

      Louis Chopin Cusachs

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010646

    34. Overlap-matched atomic orbitals (pages 423–430)

      Louis Chopin Cusachs, Benes Louis Trus, Daniel G. Carroll and Sean P. Mcglynn

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010647

    35. Multicenter distribution of molecular integrals and energy components (pages 431–443)

      Tae-Kyu Ha, William H. Fink and Leland C. Allen

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010648

    36. MOSES, a FORTRAN IV system for polyatomic molecules (pages 445–455)

      Lester M. Sachs and Murrary Geller

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010649

    37. The antisymmetrization of geminal wave functions (pages 464–474)

      F. David Peat and R. J. C. Brown

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010651

    38. Reduced density matrices for valence-bond wave functions (pages 487–510)

      W. R. Thorson, J. H. Choi and R. B. Hake

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010654

    39. Energy bands and fermi surfaces (pages 523–531)

      J. C. Slater

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010657

    40. Energy band structure of diamond, cubic silicon carbide, silicon, and germanium (pages 533–566)

      Frank Herman, Richard L. Kortum and Charles D. Kuglin

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010658

    41. Variational methods in the computation of energy bands (pages 567–588)

      Paul M. Marcus

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010659

    42. Interband momentum matrix elements and a k·p interpolation method applied to PbTe (pages 589–594)

      G. W. Pratt Jr. and N. J. Parada

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010660

    43. An effective hamiltonian for the optical properties of silicon and germanium (pages 595–603)

      G. Dresselhaus and M. S. Dresselhaus

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010661

    44. Energy bands in ordered beta-brass (pages 605–609)

      Frank J. Arlinghaus

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010662

    45. Band structure of KCl by green's function method (pages 611–614)

      Jiro Yamashita and Seturo Asano

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010663

    46. Spin wave dispersion and energy bands in fcc metals (pages 619–625)

      Eric D. Thompson

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010665

    47. Band structure of antiferromagnetic chromium (pages 627–632)

      Jiro Yamashita and Seturo Asano

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010666

    48. Transition metal atoms in cubic configurations (pages 633–643)

      R. K. Nesbet

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010667

    49. Crystal field splittings and first-order magnetic phase transitions (page 645)

      R. E. Watson and M. Blume

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010668

    50. Evidence of magnon-electron interaction from transport measurements (page 647)

      F. J. Blatt, D. J. Flood, V. Rowe, P. A. Schroeder and J. E. Cox

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010669

    51. Magnetic scattering of neutrons by the itinerant electron ferromagnets at high temperatures (pages 651–660)

      Takeo Izuyama and Yasunari Kurihara

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010671

    52. Solid-state calculations in uppsala (pages 661–668)

      Jean-Louis Calais

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010672

    53. The application of hypervirial relations to periodic potentials (pages 687–701)

      C. J. Bradley and D. E. Hughes

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010675

    54. A computer program for calculation of irreducible representations of finite groups (pages 703–711)

      Stig Flodmark and Esko Blokker

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010676

    55. On the dynamic response of impure molecular crystals (pages 727–744)

      Raphael D. Levine

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010679

    56. Collective excitation of hydrogen-bonded ferroelectrics (pages 745–753)

      Sighart F. Fischer

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010680

    57. Consistency criterion for ferroelectric free energy cluster expansion (pages 755–758)

      S. Svetina, R. Blinc and B. ŽEKŠ

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010681

    58. The dynamic ionic charge of zincblende type crystals (pages 759–765)

      E. Burstein, M. H. Brodsky and G. Lucovsky

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010682

    59. Impurity band tails in degenerate semiconductors (page 767)

      M. Lax and B. I. Halperin

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010683

    60. Localized defects in semiconductors (pages 769–771)

      Joseph Callaway and A. James Hughes

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010684

    61. Three groups of superconductors (pages 773–774)

      B. T. Matthias

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010685

    62. Electron-phonon interaction and piezospectroscopic shifts of sharp spectral lines in solids (pages 775–782)

      John D. Stettler and Romas A. Shatas

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010686

    63. Correlation problems in solids (pages 783–789)

      J. C. Slater

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010687

    64. On the single-particle spectrum of an interacting electron gas (pages 791–801)

      L. Hedin, B. I. Lundqvist and S. Lundqvist

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010688

    65. Pair-correlation functions and correlation energies of a quantum electron gas (pages 803–809)

      A. A. Broyles and Tucson Dunn

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010689

    66. Double quantum light scattering and orientational correlations in liquids (pages 829–837)

      Yoh-Han Pao, H. L. Frisch and R. Bersohn

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010691

    67. On the solid—liquid phase transition (pages 839–843)

      Ralph J. Harrison

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010692

    68. Reminiscences of 1933–1935 (pages 845–847)

      George E. Kimball

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560010693

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