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There are 17918 results for: content related to: Comparison of various types of coherence and emergent coherent systems

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    Tensor product methods and entanglement optimization for ab initio quantum chemistry

    International Journal of Quantum Chemistry

    Volume 115, Issue 19, October 5, 2015, Pages: 1342–1391, Szilárd Szalay, Max Pfeffer, Valentin Murg, Gergely Barcza, Frank Verstraete, Reinhold Schneider and Örs Legeza

    Version of Record online : 25 MAY 2015, DOI: 10.1002/qua.24898

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    Kinetic-energy-density dependent semilocal exchange-correlation functionals

    International Journal of Quantum Chemistry

    Volume 116, Issue 22, November 15, 2016, Pages: 1641–1694, Fabio Della Sala, Eduardo Fabiano and Lucian A. Constantin

    Version of Record online : 1 SEP 2016, DOI: 10.1002/qua.25224

  3. Additivity in kramers pairs symmetry: Multiplets with up to four unpaired electrons

    International Journal of Quantum Chemistry

    Volume 116, Issue 13, July 5, 2016, Pages: 1040–1048, Lukáš Bučinský, Michal Malček and Stanislav Biskupič

    Version of Record online : 4 APR 2016, DOI: 10.1002/qua.25123

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    Invariance of molecular response properties under a coordinate translation

    International Journal of Quantum Chemistry

    Volume 114, Issue 20, October 15, 2014, Pages: 1364–1392, Paolo Lazzeretti

    Version of Record online : 14 MAR 2014, DOI: 10.1002/qua.24662

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    Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview

    International Journal of Quantum Chemistry

    Volume 116, Issue 21, November 5, 2016, Pages: 1543–1574, Julien Bloino, Alberto Baiardi and Malgorzata Biczysko

    Version of Record online : 13 JUL 2016, DOI: 10.1002/qua.25188

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    Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems

    International Journal of Quantum Chemistry

    Volume 114, Issue 1, 5 January 2014, Pages: 14–49, Burak Himmetoglu, Andrea Floris, Stefano de Gironcoli and Matteo Cococcioni

    Version of Record online : 26 JUL 2013, DOI: 10.1002/qua.24521

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    Foundations of the LRESC model for response properties and some applications

    International Journal of Quantum Chemistry

    Volume 118, Issue 1, January 5, 2018, Gustavo A. Aucar, Juan I. Melo, Ignacio Agustín Aucar and Alejandro F. Maldonado

    Version of Record online : 6 NOV 2017, DOI: 10.1002/qua.25487

  8. Nonstationarity and related measures for time-dependent hartree–fock and multiconfigurational models

    International Journal of Quantum Chemistry

    Volume 113, Issue 23, 5 December 2013, Pages: 2489–2505, Anatoliy V. Luzanov

    Version of Record online : 9 JUN 2013, DOI: 10.1002/qua.24487

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    An overview of continuum models for nonequilibrium solvation: Popular theories and new challenge

    International Journal of Quantum Chemistry

    Volume 115, Issue 11, June 5, 2015, Pages: 700–721, Xiang-Yuan Li

    Version of Record online : 4 APR 2015, DOI: 10.1002/qua.24901

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    Geometric phases in quantum information

    International Journal of Quantum Chemistry

    Volume 115, Issue 19, October 5, 2015, Pages: 1311–1326, Erik Sjöqvist

    Version of Record online : 30 MAY 2015, DOI: 10.1002/qua.24941

  11. Geometry of the canonical Van Vleck transformation

    International Journal of Quantum Chemistry

    Volume 115, Issue 24, December 15, 2015, Pages: 1691–1708, Flemming Jørgensen

    Version of Record online : 30 SEP 2015, DOI: 10.1002/qua.24992

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    Classical and quantum dynamics at surfaces: Basic concepts from simple models

    International Journal of Quantum Chemistry

    Volume 116, Issue 21, November 5, 2016, Pages: 1575–1602, Matteo Bonfanti and Rocco Martinazzo

    Version of Record online : 7 JUL 2016, DOI: 10.1002/qua.25192

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    Basics of the spin Hamiltonian formalism

    International Journal of Quantum Chemistry

    Volume 114, Issue 22, November 15, 2014, Pages: 1495–1512, Mohammad Mostafanejad

    Version of Record online : 18 JUN 2014, DOI: 10.1002/qua.24721

  14. Magnesium sulfate against oxidative damage of membrane lipids: A theoretical model

    International Journal of Quantum Chemistry

    Volume 117, Issue 21, November 5, 2017, Miguel Fernández, Reinaldo Marín, Fulgencio Proverbio, Delia I. Chiarello and Fernando Ruette

    Version of Record online : 23 JUN 2017, DOI: 10.1002/qua.25423

  15. Assessment of model chemistries for hydrofluoropolyethers: A DFT/M08-HX benchmark study

    International Journal of Quantum Chemistry

    Volume 117, Issue 15, August 5, 2017, Luís P. Viegas

    Version of Record online : 5 APR 2017, DOI: 10.1002/qua.25381

  16. Unpaired electrons, spin polarization, and bond orders in radicals from the 2-RDM in orbital spaces: Basic notions and testing calculations

    International Journal of Quantum Chemistry

    Volume 114, Issue 11, 5 June 2014, Pages: 696–707, Padeleimon Karafiloglou and Katerina Kyriakidou

    Version of Record online : 10 FEB 2014, DOI: 10.1002/qua.24620

  17. A perspective on the relative merits of time-dependent and time-independent density functional theory in studies of the electron spectra due to transition metal complexes. An illustration through applications to copper tetrachloride and plastocyanin

    International Journal of Quantum Chemistry

    Volume 114, Issue 15, 5 August 2014, Pages: 1019–1029, Hristina R. Zhekova, Michael Seth and Tom Ziegler

    Version of Record online : 6 FEB 2014, DOI: 10.1002/qua.24624

  18. Hohenberg–Kohn theorems in the presence of magnetic field

    International Journal of Quantum Chemistry

    Volume 114, Issue 12, 15 June 2014, Pages: 782–795, Andre Laestadius and Michael Benedicks

    Version of Record online : 18 APR 2014, DOI: 10.1002/qua.24668

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    Nonadditive kinetic potentials from inverted Kohn–Sham problem

    International Journal of Quantum Chemistry

    Volume 118, Issue 1, January 5, 2018, Mojdeh Banafsheh and Tomasz Adam Wesolowski

    Version of Record online : 12 JUN 2017, DOI: 10.1002/qua.25410

  20. Study of adiabatic connection in density functional theory with an accurate wavefunction for two-electron spherical systems

    International Journal of Quantum Chemistry

    Volume 117, Issue 8, April 15, 2017, Rabeet Singh Chauhan and Manoj K. Harbola

    Version of Record online : 3 FEB 2017, DOI: 10.1002/qua.25344