Search Results

There are 11169 results for: content related to: Analytical second derivatives in the Amsterdam density functional package

  1. 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

    Article first published online : 12 NOV 2007, DOI: 10.1002/qua.21551

  2. Correlated one-electron wave functions

    International Journal of Quantum Chemistry

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

    Article first published online : 28 APR 2005, DOI: 10.1002/qua.20607

  3. 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

    Article first published online : 7 DEC 2010, DOI: 10.1002/qua.22943

  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

    Article first published online : 20 NOV 2006, DOI: 10.1002/qua.21245

  5. 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

    Article first published online : 6 OCT 2009, DOI: 10.1002/qua.22244

  6. 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

    Article first published online : 7 OCT 2005, DOI: 10.1002/qua.20755

  7. You have free access to this content
    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

    Article first published online : 22 AUG 2012, DOI: 10.1002/qua.24309

  8. 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

    Article first published online : 12 MAY 2005, DOI: 10.1002/qua.20609

  9. Geometrical thermodynamic field theory

    International Journal of Quantum Chemistry

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

    Article first published online : 5 OCT 2006, DOI: 10.1002/qua.21134

  10. 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

    Article first published online : 25 FEB 2004, DOI: 10.1002/qua.20029

  11. 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

    Article first published online : 19 MAR 2009, DOI: 10.1002/qua.22041

  12. 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

    Article first published online : 10 AUG 2009, DOI: 10.1002/qua.22330

  13. 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

    Article first published online : 18 JUL 2005, DOI: 10.1002/qua.20731

  14. 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

    Article first published online : 5 DEC 2005, DOI: 10.1002/qua.20878

  15. 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

    Article first published online : 7 OCT 2005, DOI: 10.1002/qua.20775

  16. Use of Fisher information in quantum chemistry

    International Journal of Quantum Chemistry

    Volume 108, Issue 12, 2008, Pages: 2230–2252, Roman F. Nalewajski

    Article first published online : 3 JUN 2008, DOI: 10.1002/qua.21752

  17. Theory of strongly correlated electron systems. I. Intersite Coulomb interaction and the approximation of renormalized fermions in total energy calculations

    International Journal of Quantum Chemistry

    Volume 102, Issue 6, 2005, Pages: 1019–1045, I. Sandalov, U. Lundin and O. Eriksson

    Article first published online : 7 JAN 2005, DOI: 10.1002/qua.20210

  18. Irreducible charge density matrices for analysis of many-electron wave functions

    International Journal of Quantum Chemistry

    Volume 102, Issue 5, 2005, Pages: 582–601, A. V. Luzanov and O. V. Prezhdo

    Article first published online : 7 JAN 2005, DOI: 10.1002/qua.20438

  19. 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

    Article first published online : 26 AUG 2009, DOI: 10.1002/qua.22384

  20. Exact mathematical treatment of the modifications of finite-dimensional quantum systems

    International Journal of Quantum Chemistry

    Volume 109, Issue 13, 5 November 2009, Pages: 2831–2859, Tomislav P. Živković

    Article first published online : 30 APR 2009, DOI: 10.1002/qua.22227