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 and Quantum Biology

18/23 January 1971

Volume 5, Issue S5

Pages fmi–fmi, xv–xvi, 1–786

  1. Masthead

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

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050801

  2. Introductions

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

      Per-Olov Löwdin

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050802

  3. Articles

    1. Top of page
    2. Masthead
    3. Introductions
    4. Articles
    1. Reminiscences of the first decade of quantum mechanics (pages 3–20)

      John H. Van Vleck

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050804

    2. The effect of removal of “equivalence” restrictions on the electronic energies of atoms (pages 21–33)

      Fukashi Sasaki, Yasuyo Horino and Kimio Ohno

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050805

    3. Dipole properties of the metastable 23S state of helium (pages 59–66)

      C. M. Dutta and N. C. Dutta

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050808

    4. Numerical calculations for C2+ using reduced density matrices (pages 67–69)

      L. J. Kijewski and J. K. Percus

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050809

    5. The lowest excited states of BH (pages 83–94)

      Robert S. Mulliken

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050811

    6. The ground state of BeH (pages 95–101)

      Robert S. Mulliken

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050812

    7. Electronic states of NH and OH+ (pages 103–118)

      H. P. D. Liu and G. Verhaegen

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050813

    8. A comment on the V state of ethylene (pages 119–121)

      S. Huzinaga, D. Mcwilliams and A. A. Cantu

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050814

    9. Potential curve for linear symmetric H3 (pages 123–131)

      B. Liu

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050815

    10. A comment concerning S[BOND]H[BOND]S type hydrogen bonds (pages 133–136)

      John R. Sabin

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050816

    11. Convergence difficulties in the hartree-fock procedure for the PPP model of alternant hydrocarbons (pages 137–142)

      Vlasta Bonačiá and Jaroslav Koutecký

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050817

    12. Transferability of molecular fragments to large molecules (pages 143–149)

      Ralph E. Christoffersen, Lester L. Shipman and Gerald M. Macgiora

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050818

    13. Geometric sumrule and the reduced partitioning procedure (pages 151–159)

      Rodney J. Bartlett and Erkki J. Brändas

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050819

    14. All single excitations in multiconfigurational wave functions (pages 165–167)

      Friedrich Grein

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050821

    15. On the calculation of raman intensities (pages 183–190)

      Jeremy I. Musher and Jerome M. Schulman

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050824

    16. The jahn-teller effect (pages 191–199)

      Frank S. Ham

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050825

    17. Lattice dynamics with second neighbor interactions (pages 201–225)

      Jesús Ortega-Campos, Isidro Romero-Medina, Evodio Lopez-Rojas, Leonel Torres-Hernández and Harold V. Mcintosh

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050826

    18. Static jahn-teller distortion in the tri-phenylene mono-negative ion (pages 227–232)

      Y. J. I'Haya, M. Nakayama and T. Iwabuchi

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050827

    19. Particle method for the numerical solution of the time-dependent schrödinger equation (page 259)

      J. H. Weiner and A. Askar

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050830

    20. Interatomic forces over a wide range of nuclear separations (pages 261–276)

      G. Robinson, N. H. March and R. C. Perrin

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050831

    21. Bond stretch in diatomic vibrotors with fues potential (pages 277–284)

      John D. Stettler and Romas A. Shatas

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050832

    22. The calculation of the zero field splitting parameters in carbenes (pages 285–293)

      James F. Harrison

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050833

    23. Phonon contribution to the hyperfine coupling constant (pages 295–299)

      T. J. Menne

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050834

    24. Dipole moments and orbital energies from ARCANA: A semi-empirical molecular orbital calculation program (pages 307–316)

      Joyce H. Corrington, H. S. Aldrich, C. W. Mccurdy and L. C. Cusachs

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050836

    25. Floating spherical gaussian calculations on systems of protons and electrons (pages 329–340)

      Carl Trindle and Peter W. Lert

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050838

    26. Ionization energies of water from PNO-CI calculations (pages 341–348)

      Wilfried Meyer

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050839

    27. A quantum mechanical investigation of the bathochromic shift in visual pigments (pages 349–360)

      M.-J. Mantione and B. Pullman

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050840

    28. Remark on quantum chemical interpretation of the induced optical activity of DNA-dye complexes (pages 361–365)

      Y. J. I'Haya, T. Nakamura, Y. Yagi, T. Sano and H. Ito

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050841

    29. Polarization differences between isotopic molecules (pages 367–370)

      E. A. Halevi

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050842

    30. Discovery and ESR spectra of matrix stabilized hydronium radicals H3O and D3O (page 371)

      T. W. Martin and L. L. Swift Jr.

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050843

    31. Crystal and ligand field theory (pages 373–377)

      C. J. Ballhausen

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050844

    32. A statistical exchange approximation for localized electrons (pages 411–420)

      Ingvar Lindgren

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050849

    33. SCF molecular-orbital studies of the sulphate ion by the scattered-wave model (pages 429–441)

      K. H. Johnson and F. C. Smith Jr.

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050851

    34. Electronic structure of TiCl4 (pages 443–449)

      D. E. Ellis and T. Parameswaran

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050852

    35. Self-consistent relativistic orthogonalized plane-wave calculation of ZnSe (pages 451–458)

      T. C. Collins, G. G. Wepfer and R. N. Euwema

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050853

    36. Metal hydrides—structure and band structure (pages 459–470)

      A. C. Switendick

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050854

    37. Fourier transformation by smooth interpolation (pages 497–500)

      D. G. Shankland

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050857

    38. Band structure and fermi surfaces of ordered intermetallic compounds TiFe, TiCo and TiNi (pages 515–526)

      Dimitrios A. Papaconstantopoulos and David J. Nagel

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050859

    39. “Exact” hartree-fock results for atomic hydrogen crystals (pages 527–531)

      Frank E. Harris, Lalit Kumar and Hendrik J. Monkhorst

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050860

    40. Electronic states in disordered alloys: Comparison of methods (pages 543–553)

      J. S. Faulkner

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050862

    41. Symmetry of non-linear optical susceptibilities in absorbing media and conservation of angular momentum (pages 555–562)

      N. Bloembergen, W. K. Burns and C. L. Tang

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050863

    42. Simple quantum mechanics and complicated ultrasonic attenuation (pages 563–567)

      E. W. Prohofsky and R. C. Purdom

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050864

    43. A computer program for symmetry adaptation of electronic states in crystals (pages 569–578)

      Esko Blokker and Stig Flodmark

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050865

    44. On the nature of axial tensors (pages 579–590)

      L. L. Boyle and P. S. C. Matthews

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050866

    45. Internal pressure in solids (page 591)

      Gudmund Borelius

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050867

    46. An alternate formulation of the static scaling hypothesis (pages 593–604)

      Alex Hankey and H. Eugene Stanley

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050868

    47. Spin-spin splitting factors for f6 electron configurations (pages 605–612)

      Gulzari Malli and K. M. S. Saxena

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050869

    48. Spin-spin splitting factors for f7 electron configurations (pages 613–618)

      K. M. S. Saxena and Gulzari Malli

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050870

    49. Spin-other-orbit and spin-orbit splitting factors for f6 electron configurations (pages 619–630)

      K. M. S. Saxena and Gulzari Malli

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050871

    50. Spin-other-orbit splitting factors for f7 electron configurations (pages 631–642)

      K. M. S. Saxena and Gulzari Malli

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050872

    51. Effect of electron correlation on the spin—spin interaction in many-electron atomic systems (pages 643–652)

      K. Jankowski, Gulzari Malli and J. H. Maysilles

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050873

    52. Magnon dispersion relation in europium iron garnet (pages 661–665)

      N. L. Huang Liu

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050875

    53. Parametrization of the orbital mixing coefficients in the AMO method (pages 707–714)

      B. Laskowski and P. Van Leuven

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050879

    54. Local moments, electron correlation and density functional theory (pages 745–762)

      J. C. Stoddart, N. H. March and D. Wiid

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050883

    55. Nondegenerate plasma modes in quantizing magnetic field (page 763)

      Norman J. Morgenstern Horing

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050884

    56. Coupled longitudinal phonon-plasmon spectrum in quantizing magnetic field (pages 765–769)

      Norman J. Morgenstern Horing, R. W. Danz and M. L. Glasser

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050885

    57. Superconductivity in 1970 (pages 771–772)

      Bernd T. Matthias

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050886

    58. On formulas in closed form for van vleck expansions (page 773)

      Edwin K. Gora

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050887

    59. Evaluation techniques for quantum mechanical integrals (page 775)

      Tien Chi Chen

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050888

    60. Quantum reunification of the sciences (pages 777–786)

      Jack J. Bulloff

      Article first published online: 18 JUN 2009 | DOI: 10.1002/qua.560050889

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