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There are 16555 results for: content related to: Natural orbital functional for correlation in polymers

  1. Correlated one-electron wave functions

    International Journal of Quantum Chemistry

    Volume 104, Issue 3, 2005, Pages: 299–327, B. Weiner and J. V. Ortiz

    Version of Record online : 28 APR 2005, DOI: 10.1002/qua.20607

  2. Information theory of D-dimensional hydrogenic systems: Application to circular and Rydberg states

    International Journal of Quantum Chemistry

    Volume 110, Issue 8, July 2010, Pages: 1529–1548, J. S. Dehesa, S. López-Rosa, A. Martínez-Finkelshtein and R. J. Yáñez

    Version of Record online : 6 OCT 2009, DOI: 10.1002/qua.22244

  3. Electron invariants and excited state structural analysis for electronic transitions within CIS, RPA, and TDDFT models

    International Journal of Quantum Chemistry

    Volume 110, Issue 4, 15 March 2010, Pages: 902–924, A. V. Luzanov and O. A. Zhikol

    Version of Record online : 19 MAR 2009, DOI: 10.1002/qua.22041

  4. Matrix-covariant representation of high-order configuration interaction and coupled cluster theories

    International Journal of Quantum Chemistry

    Volume 108, Issue 4, 2008, Pages: 671–695, Anatoliy V. Luzanov

    Version of Record online : 12 NOV 2007, DOI: 10.1002/qua.21551

  5. Are the unconventional density variations really unconventional?

    International Journal of Quantum Chemistry

    Volume 109, Issue 14, 15 November 2009, Pages: 3199–3216, Yu Adam Zhang and Yan Alexander Wang

    Version of Record online : 10 AUG 2009, DOI: 10.1002/qua.22330

  6. 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

  7. 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

  8. Davydov's solitons in zigzag carbon nanotubes

    International Journal of Quantum Chemistry

    Volume 110, Issue 1, January 2010, Pages: 11–24, Larissa Brizhik, Alexander Eremko, Bernard Piette and Wojtek Zakrzewski

    Version of Record online : 3 JUN 2009, DOI: 10.1002/qua.22291

  9. A new approach for the two-electron cumulant in natural orbital functional theory

    International Journal of Quantum Chemistry

    Volume 106, Issue 5, 2006, Pages: 1093–1104, Mario Piris

    Version of Record online : 4 NOV 2005, DOI: 10.1002/qua.20858

  10. General approach for the construction of hybrid orbitals

    International Journal of Quantum Chemistry

    Volume 106, Issue 2, 2006, Pages: 401–414, O. Álvarez-Bajo and R. Lemus

    Version of Record online : 7 OCT 2005, DOI: 10.1002/qua.20755

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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

  12. Exact electronic properties in the classically forbidden region of a metal surface

    International Journal of Quantum Chemistry

    Volume 104, Issue 6, 2005, Pages: 929–945, Zhixin Qian and Viraht Sahni

    Version of Record online : 12 MAY 2005, DOI: 10.1002/qua.20609

  13. Geometrical thermodynamic field theory

    International Journal of Quantum Chemistry

    Volume 107, Issue 4, 2007, Pages: 968–987, Giorgio Sonnino and Jarah Evslin

    Version of Record online : 5 OCT 2006, DOI: 10.1002/qua.21134

  14. JWKB method as an exact technique

    International Journal of Quantum Chemistry

    Volume 99, Issue 4, 15 September 2004, Pages: 336–352, Hujun Shen and Harris J. Silverstone

    Version of Record online : 25 FEB 2004, DOI: 10.1002/qua.20029

  15. 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

  16. Orthogonal coordinates for the dynamics of four bodies and for the representation of potentials of tetra-atomic molecules

    International Journal of Quantum Chemistry

    Volume 107, Issue 14, 2007, Pages: 2870–2888, Mirco Ragni, Ana Carla P. Bitencourt and Vincenzo Aquilanti

    Version of Record online : 26 JUL 2007, DOI: 10.1002/qua.21481

  17. Variational principles for bound states of Schrödinger and Dirac equations allowing the use of discontinuous trial functions

    International Journal of Quantum Chemistry

    Volume 97, Issue 6, 2004, Pages: 966–976, Radosław Szmytkowski and Sebastian Bielski

    Version of Record online : 29 JAN 2004, DOI: 10.1002/qua.20006

  18. Electronic Fock spaces: Phase prefactors and new algebraic structure

    International Journal of Quantum Chemistry

    Volume 105, Issue 3, 2005, Pages: 246–259, A. I. Panin

    Version of Record online : 18 JUL 2005, DOI: 10.1002/qua.20731

  19. Solving quantum trajectories in Coulomb potential by quantum Hamilton–Jacobi theory

    International Journal of Quantum Chemistry

    Volume 106, Issue 7, 2006, Pages: 1620–1639, Ciann-Dong Yang

    Version of Record online : 5 DEC 2005, DOI: 10.1002/qua.20878

  20. Ladder operators for the Kratzer oscillator and the Morse potential

    International Journal of Quantum Chemistry

    Volume 106, Issue 2, 2006, Pages: 415–425, C. Amuba Singh and O. Babynanda Devi

    Version of Record online : 7 OCT 2005, DOI: 10.1002/qua.20775