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There are 18030 results for: content related to: Three-dimensional numerical integration for electronic structure calculations

  1. Symmetrical “nonproduct” quadrature rules for a fast calculation of multicenter integrals

    International Journal of Quantum Chemistry

    Volume 61, Issue 2, 1997, Pages: 219–230, Claude Daul and Stéphane Daul

    Article first published online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1997)61:2<219::AID-QUA4>3.0.CO;2-Z

  2. Modelling the Earth's Geomagnetic Field to High Degree and Order

    Geophysical Journal International

    Volume 97, Issue 3, June 1989, Pages: 421–430, Dave R. Schmitz, J. Meyer and Joseph C. Cain

    Article first published online : 2 APR 2007, DOI: 10.1111/j.1365-246X.1989.tb00512.x

  3. Ab initio periodic study of the conformational behavior of glycine helical homopeptides

    Journal of Computational Chemistry

    Volume 31, Issue 8, June 2010, Pages: 1777–1784, Anna Maria Ferrari, Bartolomeo Civalleri and Roberto Dovesi

    Article first published online : 7 JAN 2010, DOI: 10.1002/jcc.21468

  4. A fast and accurate algorithm for QTAIM integration in solids

    Journal of Computational Chemistry

    Volume 32, Issue 2, 30 January 2011, Pages: 291–305, A. Otero-de-la-Roza and Víctor Luaña

    Article first published online : 19 JUL 2010, DOI: 10.1002/jcc.21620

  5. Gauss legendre quadrature formulas over a tetrahedron

    Numerical Methods for Partial Differential Equations

    Volume 22, Issue 1, January 2006, Pages: 197–219, H. T. Rathod, B. Venkatesudu and K. V. Nagaraja

    Article first published online : 10 JUN 2005, DOI: 10.1002/num.20095

  6. Wavenumber sampling strategies for 2.5-D frequency-domain seismic wave modelling in general anisotropic media

    Geophysical Journal International

    Volume 188, Issue 1, January 2012, Pages: 223–238, Bing Zhou, Stewart Greenhalgh and Mark Greenhalgh

    Article first published online : 3 NOV 2011, DOI: 10.1111/j.1365-246X.2011.05246.x

  7. An efficient transformation with Gauss quadrature rule for weakly singular integrals

    Communications in Numerical Methods in Engineering

    Volume 17, Issue 12, December 2001, Pages: 881–891, Beong In Yun

    Article first published online : 5 NOV 2001, DOI: 10.1002/cnm.457

  8. Numerical Differentiation/Integration

    Applied Numerical Methods Using MATLAB®

    Won Young Yang, Wenwu Cao, Tae-Sang Chung, John Morris, Pages: 209–262, 2005

    Published Online : 27 JAN 2005, DOI: 10.1002/0471705195.ch5

  9. Measure transformation and efficient quadrature in reduced-dimensional stochastic modeling of coupled problems

    International Journal for Numerical Methods in Engineering

    Volume 92, Issue 12, 21 December 2012, Pages: 1044–1080, M. Arnst, R. Ghanem, E. Phipps and J. Red-Horse

    Article first published online : 27 JUN 2012, DOI: 10.1002/nme.4368

  10. Improving the accuracy of XFEM crack tip fields using higher order quadrature and statically admissible stress recovery

    International Journal for Numerical Methods in Engineering

    Volume 66, Issue 9, 28 May 2006, Pages: 1378–1410, Q. Z. Xiao and B. L. Karihaloo

    Article first published online : 12 DEC 2005, DOI: 10.1002/nme.1601

  11. A non-Jacobian numerical quadrature for semi-infinite integrals

    International Journal for Numerical Methods in Engineering

    Volume 29, Issue 4, March 1990, Pages: 833–846, B. M. Liaw and M. Kamel

    Article first published online : 24 JUN 2005, DOI: 10.1002/nme.1620290411

  12. Numerical Integration

    Numerical Analysis for Applied Science

    Myron B. Allen, Eli L. Isaacson, Pages: 313–348, 2011

    Published Online : 5 OCT 2011, DOI: 10.1002/9781118033128.ch6

  13. Error estimation of quadrature rules for evaluating singular integrals in boundary element problems

    International Journal for Numerical Methods in Engineering

    Volume 48, Issue 7, 10 July 2000, Pages: 949–962, Peter R. Johnston and David Elliott

    Article first published online : 22 MAY 2000, DOI: 10.1002/(SICI)1097-0207(20000710)48:7<949::AID-NME905>3.0.CO;2-Q

  14. The 3-D elastodynamic boundary element method: semi-analytical integration for linear isoparametric triangular elements

    International Journal for Numerical Methods in Engineering

    Volume 44, Issue 8, 20 March 1999, Pages: 1031–1054, K. Davey, M. T. Alonso Rasgado and I. Rosindale

    Article first published online : 15 FEB 1999, DOI: 10.1002/(SICI)1097-0207(19990320)44:8<1031::AID-NME539>3.0.CO;2-T

  15. Intervallfunktionale vom GAUSS-LEGENDRE-Typ

    Mathematische Nachrichten

    Volume 87, Issue 1, 1979, Pages: 239–248, Franz Pittnauer and Manfred Reimer

    Article first published online : 11 NOV 2006, DOI: 10.1002/mana.19790870121


    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields

    Volume 10, Issue 3, May 1997, Pages: 177–192, B. M. NOTAROŠ and B. D. POPOVIĆ

    Article first published online : 4 DEC 1998, DOI: 10.1002/(SICI)1099-1204(199705)10:3<177::AID-JNM270>3.0.CO;2-B

  17. On bicubic transformation for the numerical evaluation of Cauchy principal value integrals

    Communications in Numerical Methods in Engineering

    Volume 9, Issue 4, April 1993, Pages: 307–311, T. Charles Chen

    Article first published online : 21 JUN 2005, DOI: 10.1002/cnm.1640090404

  18. Predictive Modeling of the Hydroprocessing Units

    Refinery Engineering: Integrated Process Modeling and Optimization

    Ai-Fu Chang, Kiran Pashikanti, Y. A. Liu, Pages: 363–478, 2013

    Published Online : 10 APR 2013, DOI: 10.1002/9783527666836.ch6

  19. A numerical integration scheme for special quadrilateral finite elements for the Helmholtz equation

    Communications in Numerical Methods in Engineering

    Volume 19, Issue 3, March 2003, Pages: 233–245, Rie Sugimoto, Peter Bettess and Jon Trevelyan

    Article first published online : 30 DEC 2002, DOI: 10.1002/cnm.584

  20. The iterated sinh transformation

    International Journal for Numerical Methods in Engineering

    Volume 75, Issue 1, 2 July 2008, Pages: 43–57, David Elliott and Peter R. Johnston

    Article first published online : 16 NOV 2007, DOI: 10.1002/nme.2244