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There are 19421 results for: content related to: On the removal of the exchange singularity in extended systems

  1. Linear dependence in basis-set calculations for extended systems

    International Journal of Quantum Chemistry

    Volume 43, Issue 6, 10 August 1992, Pages: 733–745, Gerrard Aissing and Hendrik J. Monkhorst

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560430602

  2. You have free access to this content
    Frank E. Harris

    International Journal of Quantum Chemistry

    Volume 109, Issue 13, 5 November 2009, Pages: 2803–2816,

    Version of Record online : 30 APR 2009, DOI: 10.1002/qua.22189

  3. A Critical Assessment of Coupled Cluster Method in Quantum Chemistry

    Advances in Chemical Physics, Volume 110

    Josef Paldus, Xiangzhu Li, Pages: 1–175, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470141694.ch1

  4. Exact and approximate Hartree–Fock calculations for extended metallic systems

    International Journal of Quantum Chemistry

    Volume 42, Issue 1, 5 April 1992, Pages: 35–44, Jean-Louis Calais and Joseph Delhalle

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560420105

  5. Correlations in extended systems: A microscopic multilocal method for describing both local and global properties

    International Journal of Quantum Chemistry

    Volume 38, Issue S24, 17/24 March 1990, Pages: 197–211, Raymond F. Bishop and Jouko S. Arponen

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560382421

  6. Coupled-cluster method with optimized reference state

    International Journal of Quantum Chemistry

    Volume 26, Issue S18, 1/15 March 1984, Pages: 267–291, Leszek Z. Stolarczyk and Hendrik J. Monkhorst

    Version of Record online : 16 APR 2008, DOI: 10.1002/qua.560260827

  7. Finite and extended systems

    International Journal of Quantum Chemistry

    Volume 58, Issue 3, 1996, Pages: 307–313, Jean-Louis Calais

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1996)58:3<307::AID-QUA7>3.0.CO;2-1

  8. Adsorption of polyfunctional 5-fluorouracil and 2,4-dithio-5-fluorouracil on Au(111) surface: Structure, energy, and electronic transmission

    International Journal of Quantum Chemistry

    Volume 112, Issue 10, 15 May 2012, Pages: 2287–2293, Fariba Nazari and Narjes Ansari

    Version of Record online : 29 AUG 2011, DOI: 10.1002/qua.23214

  9. Evaluation of the electron momentum density of crystalline systems from ab initio linear combination of atomic orbitals calculations

    Journal of Computational Chemistry

    Volume 33, Issue 8, 30 March 2012, Pages: 822–831, Alessandro Erba and Cesare Pisani

    Version of Record online : 25 JAN 2012, DOI: 10.1002/jcc.22907

  10. A General View of Minimally Extended Systems for Simple Bifurcation Points

    ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik

    Volume 77, Issue 2, 1997, Pages: 83–97, Prof. Dr. E. L. Allgower and Prof. Dr. H. Schwetlick

    Version of Record online : 22 NOV 2006, DOI: 10.1002/zamm.19970770203

  11. Four Decades of the Chemistry of Planar Hypercoordinate Compounds

    Angewandte Chemie International Edition

    Volume 54, Issue 33, August 10, 2015, Pages: 9468–9501, Dr. Li-Ming Yang, Prof. Eric Ganz, Prof. Zhongfang Chen, Prof. Zhi-Xiang Wang and Prof. Paul von Ragué Schleyer

    Version of Record online : 26 JUN 2015, DOI: 10.1002/anie.201410407

  12. Efficient computation of electron-repulsion integrals in ab initio studies of polymeric systems

    International Journal of Quantum Chemistry

    Volume 48, Issue S27, 13/20 March 1993, Pages: 793–806, David H. Mosley, Joseph G. Fripiat, Benoît Champagne and Jean-Marie André

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560480871

  13. Application of explicitly correlated Gaussian functions for calculations of the ground state of the beryllium atom

    Journal of Computational Chemistry

    Volume 14, Issue 5, May 1993, Pages: 566–570, Eric Schwegler, Pawel M. Kozlowski and Ludwik Adamowicz

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540140509

  14. Coupled-Cluster Calculations for Large Molecular and Extended Systems

    Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology

    Karol Kowalski, Jeff R. Hammond, Wibe A. de Jong, Peng-Dong Fan, Marat Valiev, Dunyou Wang, Niranjan Govind, Pages: 167–200, 2011

    Published Online : 5 JUL 2011, DOI: 10.1002/9780470930779.ch5

  15. The Role of the Tangent Mapping in Analyzing Bifurcation Behaviour

    ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik

    Volume 64, Issue 9, 1984, Pages: 407–412, Dr. J. P. Fink and Dr. W. C. Rheinboldt

    Version of Record online : 23 NOV 2006, DOI: 10.1002/zamm.19840640908

  16. High-spin behavior of molecular crystals and extended π systems

    International Journal of Quantum Chemistry

    Volume 79, Issue 5, 2000, Pages: 308–324, Sambhu N. Datta, Anirban Misra and R. Vinodhkumar

    Version of Record online : 24 JUL 2000, DOI: 10.1002/1097-461X(2000)79:5<308::AID-QUA5>3.0.CO;2-7

  17. A general procedure for the direct computation of turning and bifurcation points

    International Journal for Numerical Methods in Engineering

    Volume 30, Issue 1, July 1990, Pages: 155–176, P. Wriggers and J. C. Simo

    Version of Record online : 24 JUN 2005, DOI: 10.1002/nme.1620300110

  18. Calculation of properties with the coupled-cluster method

    International Journal of Quantum Chemistry

    Volume 12, Issue S11, 16/22 January 1977, Pages: 421–432, Hendrik J. Monkhorst

    Version of Record online : 18 JUN 2009, DOI: 10.1002/qua.560120850

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    First-principles approaches for strongly correlated materials: A theoretical chemistry perspective

    International Journal of Quantum Chemistry

    Volume 115, Issue 11, June 5, 2015, Pages: 722–730, Hong Jiang

    Version of Record online : 22 MAR 2015, DOI: 10.1002/qua.24905

  20. An Introduction to Coupled Cluster Theory for Computational Chemists

    Reviews in Computational Chemistry, Volume 14

    T. Daniel Crawford, Henry F. Schaefer, Pages: 33–136, 2007

    Published Online : 5 JAN 2007, DOI: 10.1002/9780470125915.ch2