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There are 15285 results for: content related to: My life as a physicist: Memories and perspectives

  1. Vector coupling coefficients for calculations of transition-metal atoms and ions by the SCF coupling operator method

    International Journal of Quantum Chemistry

    Volume 41, Issue 2, 20 January 1992, Pages: 311–325, B. N. Plakhutin, G. M. Zhidomirov and A. V. Arbuznikov

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560410207

  2. Calculations of Observables in Metallic Complexes by the Molecular Orbital Theory

    Advances in Chemical Physics, Volume 37

    I. Prigogine, Stuart A. Rice, Pages: 203–304, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470142561.ch5

  3. The origin of energy functional in Roothaan open shell SCF theory

    International Journal of Quantum Chemistry

    Volume 37, Issue 1, January 1990, Pages: 35–50, G. T. Klimko, M. M. Mestechkin, B. N. Plakhutin, G. M. Zhidomirov and R. A. Evarestov

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560370104

  4. Roothaan's open shell theory from the viewpoint of an orthogonal group

    International Journal of Quantum Chemistry

    Volume 37, Issue 6, June 1990, Pages: 753–771, G. T. Klimko and M. M. Mestechkin

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560370605

  5. The diatomic molecule project at LMSS 1956–1966: Broken bottlenecks

    International Journal of Quantum Chemistry

    Volume 48, Issue S27, 13/20 March 1993, Pages: 25–32, Bernard J. Ransil

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560480806

  6. Coupling coefficients for systems with two open electronic shells: Transition metal ions with pM dN configuration

    International Journal of Quantum Chemistry

    Volume 45, Issue 4, 1993, Pages: 363–383, B. N. Plakhutin, A. V. Arbuznikov and A. B. Trofimov

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560450404

  7. The first excited triplet states of the nucleotide bases calculated with different semiempirical SCF schemes

    International Journal of Quantum Chemistry

    Volume 3, Issue 1, January 1969, Pages: 79–92, J. C. Packer, J. S. Avery, J. Ladik and G. Biczó

    Version of Record online : 12 OCT 2004, DOI: 10.1002/qua.560030112

  8. Scaled one-electron hamiltonian model for open-shell LCAOMOSCF calculations: Comparison with the restricted open-shell method of roothaan

    International Journal of Quantum Chemistry

    Volume 21, Issue 5, May 1982, Pages: 905–915, Manas Banerjee and Sankar Prasad Bhattacharyya

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560210516

  9. Quadratically convergent iteration procedure for geminal determinations

    International Journal of Quantum Chemistry

    Volume 3, Issue 5, September 1969, Pages: 651–661, Joe Loter and Ralph E. Christoffersen

    Version of Record online : 12 OCT 2004, DOI: 10.1002/qua.560030511

  10. On the choice and definition of atomic orbital-bases. II. Promoted Slater orbitals and best-atom hydrogen-like orbitals

    International Journal of Quantum Chemistry

    Volume 3, Issue 5, September 1969, Pages: 553–568, Augusto Rastelli and Giuseppe Del Re

    Version of Record online : 12 OCT 2004, DOI: 10.1002/qua.560030503

  11. Semiempirische Rechnungen an alkylsubstituierten Fulvenen

    Berichte der Bunsengesellschaft für physikalische Chemie

    Volume 78, Issue 4, April 1974, Pages: 414–418, Peter A. Straub

    Version of Record online : 5 MAY 2010, DOI: 10.1002/bbpc.19740780418

  12. A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions

    International Journal of Quantum Chemistry

    Volume 7, Issue 4, July 1973, Pages: 699–705, V. R. Saunders and I. H. Hillier

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560070407

  13. Coupled Hartree Fock calculation of static dipole polarizabilities and shielding factors of open shell systems

    International Journal of Quantum Chemistry

    Volume 8, Issue 1, January 1974, Pages: 97–105, A. Gupta, A. K. Bhattacharya and P. K. Mukherjee

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560080111

  14. Modification of the Roothaan equations to exclude BSSE from molecular interaction calculations

    International Journal of Quantum Chemistry

    Volume 60, Issue 1, 5 October 1996, Pages: 157–166, E. Gianinetti, M. Raimondi and E. Tornaghi

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1996)60:1<157::AID-QUA17>3.0.CO;2-C

  15. Détermination des Orbitales Moléculaires par Minimisation Directe de L'Energie de L'Etat Fondamental et des Etats Excités des Molécules

    International Journal of Quantum Chemistry

    Volume 7, Issue 5, September 1973, Pages: 945–950, Marc Benard and André Julg

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560070509

  16. Electronic Structures in Quantum Biochemistry

    Advances in Chemical Physics: Structure & Properties of Biomolecules, Volume 7

    J. Duchesne, Pages: 1–83, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470143537.ch1

  17. Convergence problems in SCF calculations: Further applications of a new technique based on the use of inverse Fock operator

    International Journal of Quantum Chemistry

    Volume 25, Issue 5, May 1984, Pages: 809–816, Kalyan Kumar Das, Debashis Mukherjee, Sankar Prasad Bhattacharyya, Debendra Madhab Bhattacharyya and Priyotosh Khan

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560250505

  18. Variation–iteration solution of the Hartree–Fock equations for atomic systems

    International Journal of Quantum Chemistry

    Volume 12, Issue 2, August 1977, Pages: 305–315, M. Blakemore, G. A. Evans and J. Hyslop

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560120207

  19. Coupled hartree–fock calculation of static and shielding factors for open shell atomic systems

    International Journal of Quantum Chemistry

    Volume 9, Issue 1, January 1975, Pages: 1–8, A. Gupta, H. P. Roy and P. K. Mukherjee

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560090102

  20. A semi-empirical MO theory for ionization potentials and electron affinities

    International Journal of Quantum Chemistry

    Volume 11, Issue 1, January 1977, Pages: 149–161, R. G. Selsby, C. Machin and M. L. Hernandez

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560110112