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There are 13239 results for: content related to: A natural orbital functional based on an explicit approach of the two-electron cumulant

  1. Description of high-spin restricted open-shell molecules with the Piris natural orbital functional

    International Journal of Quantum Chemistry

    Volume 107, Issue 1, 2007, Pages: 1–11, P. Leiva and M. Piris

    Version of Record online : 31 AUG 2006, DOI: 10.1002/qua.21058

  2. Harmonic oscillator basis functions and Gaussian model potentials for the analysis of anharmonic vibrations

    International Journal of Quantum Chemistry

    Volume 90, Issue 1, 2002, Pages: 202–226, P. P. Schmidt

    Version of Record online : 13 NOV 2001, DOI: 10.1002/qua.10046

  3. An atomic capacitance–polarizability model for the calculation of molecular dipole moments and polarizabilities

    International Journal of Quantum Chemistry

    Volume 84, Issue 5, 2001, Pages: 513–522, Lasse Jensen, Per-Olof Åstrand and Kurt V. Mikkelsen

    Version of Record online : 29 MAY 2001, DOI: 10.1002/qua.1405

  4. Vortex Methods

    Standard Article

    Encyclopedia of Computational Mechanics

    G. S. Winckelmans

    Published Online : 15 NOV 2004, DOI: 10.1002/0470091355.ecm055

  5. 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

  6. On models of irreducible p,q-representations of gl(2) and p,q-Mellin integral transformation

    Mathematische Nachrichten

    Volume 284, Issue 14-15, October 2011, Pages: 1955–1966, Vivek Sahai and Sarasvati Yadav

    Version of Record online : 22 JUL 2011, DOI: 10.1002/mana.200910153

  7. Complete set of solutions of the generalized Bloch equation

    International Journal of Quantum Chemistry

    Volume 80, Issue 4-5, 2000, Pages: 757–781, K. Kowalski and P. Piecuch

    Version of Record online : 20 OCT 2000, DOI: 10.1002/1097-461X(2000)80:4/5<757::AID-QUA25>3.0.CO;2-A

  8. Four-center integrals for Gaussian and exponential functions

    International Journal of Quantum Chemistry

    Volume 81, Issue 1, 2001, Pages: 16–28, J. Fernández Rico, J. J. Fernández, I. Ema, R. López and G. Ramírez

    Version of Record online : 15 NOV 2000, DOI: 10.1002/1097-461X(2001)81:1<16::AID-QUA5>3.0.CO;2-A

  9. Variational estimates for exchange-correlation interaction obtained within Super-CI approach to MCSCF approximation

    International Journal of Quantum Chemistry

    Volume 107, Issue 14, 2007, Pages: 2616–2621, S. I. Gusarov, I. A. Goidenko, Yu. Yu. Dmitriev and L. N. Labzowsky

    Version of Record online : 1 JUN 2007, DOI: 10.1002/qua.21431

  10. Dipolar Field and Radiation Damping: Collective Effects in Liquid-State NMR

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    eMagRes

    Jean Jeener

    Published Online : 15 MAR 2007, DOI: 10.1002/9780470034590.emrstm0124

  11. Partial least squares algorithms and methods

    Wiley Interdisciplinary Reviews: Computational Statistics

    Volume 5, Issue 1, January/February 2013, Pages: 1–19, Vincenzo Esposito Vinzi and Giorgio Russolillo

    Version of Record online : 26 DEC 2012, DOI: 10.1002/wics.1239

  12. On irreducible p, q-representations of Lie algebras equation image and equation image

    Mathematische Nachrichten

    Volume 286, Issue 4, March 2013, Pages: 392–401, Vivek Sahai and Sarasvati Yadav

    Version of Record online : 29 NOV 2012, DOI: 10.1002/mana.201100327

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    Effect of dimensionality of a crystal lattice on the properties of a localized impurity

    International Journal of Quantum Chemistry

    Volume 80, Issue 1, 2000, Pages: 61–78, S. Olszewski, M. Baszczak and T. Kwiatkowski

    Version of Record online : 10 AUG 2000, DOI: 10.1002/1097-461X(2000)80:1<61::AID-QUA5>3.0.CO;2-O

  14. Quantum dynamical manifolds: Applications to excitonic coupled high temperature superconductivity

    International Journal of Quantum Chemistry

    Volume 90, Issue 2, 2002, Pages: 719–750, D. F. Scofield and T. C. Collins

    Version of Record online : 16 MAY 2002, DOI: 10.1002/qua.936

  15. Effect of dimensionality of a crystal lattice on the properties of a localized impurity

    International Journal of Quantum Chemistry

    Volume 79, Issue 2, 2000, Pages: 57–74, S. Olszewski, M. Baszczak and T. Kwiatkowski

    Version of Record online : 19 JUN 2000, DOI: 10.1002/1097-461X(2000)79:2<57::AID-QUA1>3.0.CO;2-C

  16. Approximate solution of the representability problem

    International Journal of Quantum Chemistry

    Volume 85, Issue 1, 2001, Pages: 1–17, A. I. Panin

    Version of Record online : 10 JUL 2001, DOI: 10.1002/qua.1094

  17. Gradient Theory

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    Encyclopedia of Computational Chemistry

    Trygve Helgaker

    Published Online : 15 APR 2002, DOI: 10.1002/0470845015.caa007s

  18. On the importance of orbital localization in QC-DMRG calculations

    International Journal of Quantum Chemistry

    Volume 112, Issue 6, 15 March 2012, Pages: 1606–1619, Alexander O. Mitrushchenkov, Guido Fano, Roberto Linguerri and Paolo Palmieri

    Version of Record online : 29 DEC 2011, DOI: 10.1002/qua.23173

  19. Computational aspects of polymer band structure calculations by the Fourier space restricted Hartree–Fock method

    International Journal of Quantum Chemistry

    Volume 80, Issue 4-5, 2000, Pages: 856–862, Joseph G. Fripiat, Isabelle Flamant, Frank E. Harris and Joseph Delhalle

    Version of Record online : 20 OCT 2000, DOI: 10.1002/1097-461X(2000)80:4/5<856::AID-QUA35>3.0.CO;2-9

  20. Coherent Control of Molecular Dynamics

    Standard Article

    Encyclopedia of Computational Chemistry

    Moshe Shapiro and Paul Brumer

    Published Online : 15 OCT 2004, DOI: 10.1002/0470845015.cn0058