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There are 17665 results for: content related to: Expansion of a wave function in a Gaussian basis. I. Local versus global approximation

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    Spin in density-functional theory

    International Journal of Quantum Chemistry

    Volume 112, Issue 23, 5 December 2012, Pages: 3661–3684, Christoph R. Jacob and Markus Reiher

    Version of Record online : 22 AUG 2012, DOI: 10.1002/qua.24309

  2. Hund's rule in the doubly excited states of the helium isoelectronic

    International Journal of Quantum Chemistry

    Volume 112, Issue 17, 5 September 2012, Pages: 2880–2893, Jacob Katriel and Spyros I. Themelis

    Version of Record online : 6 FEB 2012, DOI: 10.1002/qua.24003

  3. Density functional theory on phase space

    International Journal of Quantum Chemistry

    Volume 112, Issue 4, 5 February 2012, Pages: 1134–1164, Philippe Blanchard, José M. Gracia-Bond7iacute;a and Joseph C. Várilly

    Version of Record online : 6 MAY 2011, DOI: 10.1002/qua.23101

  4. Density of electron states in crystalline systems calculated in the presence and absence of the magnetic field

    International Journal of Quantum Chemistry

    Volume 107, Issue 5, 2007, Pages: 1223–1240, S. Olszewski and T. Roliński

    Version of Record online : 20 NOV 2006, DOI: 10.1002/qua.21245

  5. Whittaker–Hill equation, Ince polynomials, and molecular torsional modes

    International Journal of Quantum Chemistry

    Volume 110, Issue 3, 5 March 2010, Pages: 716–730, Luiz F. Roncaratti and Vincenzo Aquilanti

    Version of Record online : 26 AUG 2009, DOI: 10.1002/qua.22255

  6. Explicit and implicit multi-center integrations

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1573–1583, Wolfhard H. G. Koch

    Version of Record online : 29 NOV 2012, DOI: 10.1002/qua.24363

  7. Some formal properties of ensemble density functionals

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1076–1085, Daniel P. Joubert

    Version of Record online : 9 MAY 2012, DOI: 10.1002/qua.24150

  8. Modeling molecular interactions by analytic potentials: Analytic perturbation treatment

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 2986–2997, Eugene S. Kryachko

    Version of Record online : 7 MAY 2012, DOI: 10.1002/qua.24136

  9. Spin-free quantum chemistry: What one can gain from fock's cyclic symmetry

    International Journal of Quantum Chemistry

    Volume 111, Issue 15, December 2011, Pages: 4042–4066, A. V. Luzanov

    Version of Record online : 7 DEC 2010, DOI: 10.1002/qua.22943

  10. Gauge function optimization 2: An accurately solvable model

    International Journal of Quantum Chemistry

    Volume 112, Issue 6, 15 March 2012, Pages: 1620–1641, Atsushi Kubo

    Version of Record online : 11 JUL 2011, DOI: 10.1002/qua.23176

  11. Unified treatment of exactly solvable quantum potentials with confluent hypergeometric eigenfunctions: Generalized potentials

    International Journal of Quantum Chemistry

    Volume 112, Issue 24, 15 December 2012, Pages: 3815–3821, J. J. Peña, J. Morales, J. García-Martínez and J. García-Ravelo

    Version of Record online : 22 JUN 2012, DOI: 10.1002/qua.24238

  12. Study of simulation method of time evolution in rigged QED

    International Journal of Quantum Chemistry

    Volume 113, Issue 3, 5 February 2013, Pages: 190–202, Kazuhide Ichikawa, Masahiro Fukuda and Akitomo Tachibana

    Version of Record online : 7 APR 2012, DOI: 10.1002/qua.24087

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    Density dynamics in some quantum systems

    International Journal of Quantum Chemistry

    Volume 113, Issue 13, 5 July 2013, Pages: 1747–1771, Munmun Khatua, Debdutta Chakraborty and Pratim Kumar Chattaraj

    Version of Record online : 20 FEB 2013, DOI: 10.1002/qua.24402

  14. Nonsingular constraints in time-dependent variational principle for parametrized wave functions

    International Journal of Quantum Chemistry

    Volume 113, Issue 2, 15 January 2013, Pages: 161–170, Katsuhisa Ohta

    Version of Record online : 20 SEP 2012, DOI: 10.1002/qua.24325

  15. A natural orbital functional based on an explicit approach of the two-electron cumulant

    International Journal of Quantum Chemistry

    Volume 113, Issue 5, 5 March 2013, Pages: 620–630, M. Piris

    Version of Record online : 23 FEB 2012, DOI: 10.1002/qua.24020

  16. How many-body perturbation theory (MBPT) has changed quantum chemistry

    International Journal of Quantum Chemistry

    Volume 109, Issue 15, December 2009, Pages: 3858–3884, Werner Kutzelnigg

    Version of Record online : 26 AUG 2009, DOI: 10.1002/qua.22384

  17. Entropic functionals of Laguerre polynomials and complexity properties of the half-line Coulomb potential

    International Journal of Quantum Chemistry

    Volume 111, Issue 10, 15 August 2011, Pages: 2283–2294, P. Sánchez-Moreno, J. J. Omiste and J. S. Dehesa

    Version of Record online : 16 MAR 2010, DOI: 10.1002/qua.22552

  18. Electronic quantum motions in hydrogen molecule ion

    International Journal of Quantum Chemistry

    Volume 111, Issue 12, October 2011, Pages: 2980–2999, Ciann-Dong Yang and Hung-Jen Weng

    Version of Record online : 10 JUN 2010, DOI: 10.1002/qua.22608

  19. Hierarchy of equations in the generalized density functional theory

    International Journal of Quantum Chemistry

    Volume 106, Issue 5, 2006, Pages: 1043–1051, Á. Nagy

    Version of Record online : 28 NOV 2005, DOI: 10.1002/qua.20872

  20. Proton transfer reactions in solution

    International Journal of Quantum Chemistry

    Volume 77, Issue 1, 2000, Pages: 221–239, Solvejg Jørgensen and Kurt V. Mikkelsen

    Version of Record online : 10 MAR 2000, DOI: 10.1002/(SICI)1097-461X(2000)77:1<221::AID-QUA21>3.0.CO;2-6