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There are 53124 results for: content related to: Accelerating convergence in the antisymmetric product of strongly orthogonal geminals method

  1. The C2-DIIS convergence acceleration algorithm

    International Journal of Quantum Chemistry

    Volume 45, Issue 1, 1993, Pages: 31–41, Harrell Sellers

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560450106

  2. Error vector choice in direct inversion in the iterative subspace method

    Journal of Computational Chemistry

    Volume 17, Issue 16, December 1996, Pages: 1836–1847, Irina V. Ionova and Emily A. Carter

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1096-987X(199612)17:16<1836::AID-JCC4>3.0.CO;2-O

  3. Krylov subspace accelerated inexact Newton method for linear and nonlinear equations

    Journal of Computational Chemistry

    Volume 25, Issue 3, February 2004, Pages: 328–334, Robert J. Harrison

    Version of Record online : 12 DEC 2003, DOI: 10.1002/jcc.10108

  4. Solution of three-dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace

    Journal of Computational Chemistry

    Volume 20, Issue 9, 15 July 1999, Pages: 928–936, Andriy Kovalenko, Seiichiro Ten-no and Fumio Hirata

    Version of Record online : 21 MAY 1999, DOI: 10.1002/(SICI)1096-987X(19990715)20:9<928::AID-JCC4>3.0.CO;2-X

  5. Ab initio geometry optimization for large molecules

    Journal of Computational Chemistry

    Volume 18, Issue 12, September 1997, Pages: 1473–1483, Frank Eckert, Peter Pulay and Hans-Joachim Werner

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1096-987X(199709)18:12<1473::AID-JCC5>3.0.CO;2-G

  6. Convergence optimization of restricted open-shell self-consistent field calculations

    International Journal of Quantum Chemistry

    Volume 62, Issue 6, 1997, Pages: 617–637, Christian Kollmar

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1997)62:6<617::AID-QUA5>3.0.CO;2-Z

  7. Implementation and benchmark tests of the DFTB method and its application in the ONIOM method

    International Journal of Quantum Chemistry

    Volume 109, Issue 9, 2009, Pages: 1841–1854, Guishan Zheng, Marcus Lundberg, Jacek Jakowski, Thom Vreven, Michael J. Frisch and Keiji Morokuma

    Version of Record online : 23 MAR 2009, DOI: 10.1002/qua.22002

  8. Accelerating VASP electronic structure calculations using graphic processing units

    Journal of Computational Chemistry

    Volume 33, Issue 32, 15 December 2012, Pages: 2581–2589, Mohamed Hacene, Ani Anciaux-Sedrakian, Xavier Rozanska, Diego Klahr, Thomas Guignon and Paul Fleurat-Lessard

    Version of Record online : 20 AUG 2012, DOI: 10.1002/jcc.23096

  9. Self-consistent field for fragmented quantum mechanical model of large molecular systems

    Journal of Computational Chemistry

    Volume 37, Issue 3, January 30, 2016, Pages: 321–326, Yingdi Jin, Neil Qiang Su, Xin Xu and Hao Hu

    Version of Record online : 17 NOV 2015, DOI: 10.1002/jcc.24252

  10. Implementation of divide-and-conquer method including Hartree-Fock exchange interaction

    Journal of Computational Chemistry

    Volume 28, Issue 12, September 2007, Pages: 2003–2012, Tomoko Akama, Masato Kobayashi and Hiromi Nakai

    Version of Record online : 23 APR 2007, DOI: 10.1002/jcc.20707

  11. John Selden's Letter to Ben Jonson on Cross-Dressing and Bisexual Gods [with text]

    English Literary Renaissance

    Volume 29, Issue 1, December 1999, Pages: 44–74, JASON P. ROSENBLATT and WINFRIED SCHLEINER

    Version of Record online : 13 NOV 2008, DOI: 10.1111/j.1475-6757.1999.tb01136.x

  12. Improved SCF convergence acceleration

    Journal of Computational Chemistry

    Volume 3, Issue 4, Winter 1982, Pages: 556–560, P. Pulay

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540030413

  13. Convergence acceleration techniques for non-Hermitian SCF problems

    International Journal of Quantum Chemistry

    Volume 109, Issue 11, 2009, Pages: 2564–2571, Pedro Salvador

    Version of Record online : 10 APR 2009, DOI: 10.1002/qua.22103

  14. Molecular symmetry and ab initio calculations. I. Symmetry-matrix and symmetry-supermatrix

    Journal of Computational Chemistry

    Volume 10, Issue 7, October/November 1989, Pages: 957–962, Xiaoping Cao

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540100714

  15. Accelerating convergence in iterative solution for large-scale complete active space self-consistent-field calculations

    International Journal of Quantum Chemistry

    Volume 109, Issue 10, 2009, Pages: 2178–2190, Takeshi Yanai, Yuki Kurashige, Debashree Ghosh and Garnet Kin-Lic Chan

    Version of Record online : 23 MAR 2009, DOI: 10.1002/qua.22099

  16. Half-projected Hartree–Fock natural orbitals for defining CASSCF active spaces

    International Journal of Quantum Chemistry

    Volume 45, Issue 2, 1993, Pages: 133–166, Richard G. A. Bone and Péter Pulay

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560450203

  17. Computational developments in generalized valence bond calculations

    Journal of Computational Chemistry

    Volume 17, Issue 3, February 1996, Pages: 313–325, Youliang Wang and Raymond A. Poirier

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1096-987X(199602)17:3<313::AID-JCC6>3.0.CO;2-Y

  18. You have free access to this content
    Abstracts of the ESRS, Prague 2004

    Journal of Sleep Research

    Volume 13, Issue s1, September 2004, Pages: 1–832,

    Version of Record online : 1 OCT 2004, DOI: 10.1111/j.1365-2869.2004.00410.x

  19. Validation of a clinical assessment score for pediatric sleep-disordered breathing

    The Laryngoscope

    Volume 122, Issue 9, September 2012, Pages: 2096–2104, Nira A. Goldstein, Dimitre G. Stefanov, Katharina D. Graw-Panzer, Samir A. Fahmy, Sherry Fishkin, Alison Jackson, Jennifer S. Sarhis and Jeremy Weedon

    Version of Record online : 13 AUG 2012, DOI: 10.1002/lary.23455

  20. Die Pompiliden-Gattung Pepsis monographisch bearbeitet

    Berliner entomologische Zeitschrift

    Volume 39, Issue 4, 1895, Pages: 449–839, Dr. Robert Lucas

    Version of Record online : 18 APR 2008, DOI: 10.1002/mmnd.18950390402