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There are 45367 results for: content related to: Theory of variational calculation with a scaling correct moment functional to solve the electronic schrödinger equation directly for ground state one-electron density and electronic energy

  1. Molecular excitation spectra by TDDFT with the nonadiabatic exact exchange kernel

    International Journal of Quantum Chemistry

    Volume 110, Issue 12, October 2010, Pages: 2202–2220, Andrey Ipatov, Andreas Heßelmann and Andreas Görling

    Version of Record online : 10 MAR 2010, DOI: 10.1002/qua.22561

  2. Green's Function Methods

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    Encyclopedia of RF and Microwave Engineering

    Jian-Ming Jin and Weng Cho Chew

    Published Online : 15 APR 2005, DOI: 10.1002/0471654507.eme151

  3. Hierarchy of equations in the generalized density functional theory

    International Journal of Quantum Chemistry

    Volume 106, Issue 5, 2006, Pages: 1043–1051, Á. Nagy

    Version of Record online : 28 NOV 2005, DOI: 10.1002/qua.20872

  4. Some formal properties of ensemble density functionals

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1076–1085, Daniel P. Joubert

    Version of Record online : 9 MAY 2012, DOI: 10.1002/qua.24150

  5. Density and physical current density functional theory

    International Journal of Quantum Chemistry

    Volume 110, Issue 15, December 2010, Pages: 2833–2843, Xiao-Yin Pan and Viraht Sahni

    Version of Record online : 17 AUG 2010, DOI: 10.1002/qua.22862

  6. Electronic energy functionals: Levy–Lieb principle within the ground state path integral quantum Monte Carlo

    International Journal of Quantum Chemistry

    Volume 113, Issue 2, 15 January 2013, Pages: 155–160, Luigi Delle Site, Luca M. Ghiringhelli and David M. Ceperley

    Version of Record online : 30 AUG 2012, DOI: 10.1002/qua.24321

  7. Density-functional Theory of Magnetism

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    Handbook of Magnetism and Advanced Magnetic Materials

    Gustav Bihlmayer

    Published Online : 15 DEC 2007, DOI: 10.1002/9780470022184.hmm101

  8. On some generalizations of Gevrey classes

    Mathematische Nachrichten

    Volume 284, Issue 7, May 2011, Pages: 856–874, Daniela Calvo and María del Carmen Gómez-Collado

    Version of Record online : 6 APR 2011, DOI: 10.1002/mana.200910840

  9. Comparison of second-order orbital-dependent DFT correlation functionals

    International Journal of Quantum Chemistry

    Volume 108, Issue 12, 2008, Pages: 2076–2087, Ireneusz Grabowski

    Version of Record online : 27 MAY 2008, DOI: 10.1002/qua.21721

  10. Nonadiabatic Derivative Couplings

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    Encyclopedia of Computational Chemistry

    David R. Yarkony

    Published Online : 15 APR 2002, DOI: 10.1002/0470845015.cna007

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    The definition of ‘truth’ for Numerical Weather Prediction error statistics

    Quarterly Journal of the Royal Meteorological Society

    Volume 137, Issue 654, January 2011 Part A, Pages: 84–98, Rod Frehlich

    Version of Record online : 12 JAN 2011, DOI: 10.1002/qj.738

  12. Crystal and electronic structure of the room temperature organometallic ferrimagnet V(TCNE)2. Analysis of numerical DoS and magnetic properties as related to orbital and spin-Hamiltonian models

    International Journal of Quantum Chemistry

    Volume 111, Issue 11, September 2011, Pages: 2490–2509, Andrei L. Tchougréeff and Richard Dronskowski

    Version of Record online : 2 JUN 2010, DOI: 10.1002/qua.22661

  13. Chirality

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    Encyclopedia of RF and Microwave Engineering

    Akhlesh Lakhtakia

    Published Online : 15 APR 2005, DOI: 10.1002/0471654507.eme045

  14. Multipole expansions of orbital products about an intermediate center

    International Journal of Quantum Chemistry

    Volume 111, Issue 10, 15 August 2011, Pages: 2221–2227, James D. Talman

    Version of Record online : 2 FEB 2010, DOI: 10.1002/qua.22511

  15. Polymer-tethered ligand–receptor interactions between surfaces

    Journal of Polymer Science Part B: Polymer Physics

    Volume 44, Issue 18, 15 September 2006, Pages: 2621–2637, Jeremy I. Martin, Cheng-Zhong Zhang and Zhen-Gang Wang

    Version of Record online : 17 AUG 2006, DOI: 10.1002/polb.20897

  16. Green's Functions

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    Encyclopedia of Applied Physics

    Kazuo Ohtaka

    Published Online : 15 APR 2003, DOI: 10.1002/3527600434.eap164

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    Continuum molecular electrostatics, salt effects, and counterion binding—A review of the Poisson–Boltzmann theory and its modifications

    Biopolymers

    Volume 89, Issue 2, February 2008, Pages: 93–113, Paweł Grochowski and Joanna Trylska

    Version of Record online : 29 OCT 2007, DOI: 10.1002/bip.20877

  18. Excited State Dynamics in Biomolecules

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    Encyclopedia of Applied Physics

    Gerrit Groenhof, Lars V. Schäfer, Martial Boggio-Pasqua and Michael A. Robb

    Published Online : 15 AUG 2009, DOI: 10.1002/3527600434.eap660

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    Rung 3.5 density functionals: Another step on Jacob's ladder

    International Journal of Quantum Chemistry

    Volume 113, Issue 2, 15 January 2013, Pages: 83–88, Benjamin G. Janesko

    Version of Record online : 26 JUN 2012, DOI: 10.1002/qua.24256

  20. Electron pair density information measures in atomic systems

    International Journal of Quantum Chemistry

    Volume 111, Issue 14, 15 November 2011, Pages: 3497–3504, Robin P. Sagar, Humberto G. Laguna and Nicolais L. Guevara

    Version of Record online : 3 NOV 2010, DOI: 10.1002/qua.22792