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There are 187046 results for: content related to: Proper quantization rule approach to three-dimensional quantum dots

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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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    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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    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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    Recent advances in the linearized semiclassical initial value representation/classical Wigner model for the thermal correlation function

    International Journal of Quantum Chemistry

    Volume 115, Issue 11, June 5, 2015, Pages: 657–670, Jian Liu

    Version of Record online : 11 FEB 2015, DOI: 10.1002/qua.24872

  5. You have full text access to this OnlineOpen article
    Theory and calculation for the electronic coupling in excitation energy transfer

    International Journal of Quantum Chemistry

    Volume 114, Issue 2, 15 January 2014, Pages: 102–115, Zhi-Qiang You and Chao-Ping Hsu

    Version of Record online : 7 AUG 2013, DOI: 10.1002/qua.24528

  6. Time-dependent molecular fields created by the interaction of an external electromagnetic field with a molecular system

    International Journal of Quantum Chemistry

    Volume 114, Issue 24, December 15, 2014, Pages: 1645–1659, Michael Baer

    Version of Record online : 15 JUL 2014, DOI: 10.1002/qua.24734

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    Generalized vibrational perturbation theory for rotovibrational energies of linear, symmetric and asymmetric tops: Theory, approximations, and automated approaches to deal with medium-to-large molecular systems

    International Journal of Quantum Chemistry

    Volume 115, Issue 15, August 5, 2015, Pages: 948–982, Matteo Piccardo, Julien Bloino and Vincenzo Barone

    Version of Record online : 10 JUN 2015, DOI: 10.1002/qua.24931

  8. 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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    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

  10. Scale-adaptive tensor algebra for local many-body methods of electronic structure theory

    International Journal of Quantum Chemistry

    Volume 114, Issue 23, December 5, 2014, Pages: 1607–1618, Dmitry I. Lyakh

    Version of Record online : 7 JUL 2014, DOI: 10.1002/qua.24732

  11. An extensive study of transformation of the diatomics Hamiltonian operator from laboratory- to body-fixed frame

    International Journal of Quantum Chemistry

    Volume 115, Issue 8, April 15, 2015, Pages: 510–522, Reza Islampour and Mahsasadat Miralinaghi

    Version of Record online : 21 FEB 2015, DOI: 10.1002/qua.24881

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    Quantum monte carlo methods for constrained systems

    International Journal of Quantum Chemistry

    Volume 114, Issue 10, 15 May 2014, Pages: 611–625, Sarah Wolf, Emanuele Curotto and Massimo Mella

    Version of Record online : 28 FEB 2014, DOI: 10.1002/qua.24647

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    Comparison of various types of coherence and emergent coherent systems

    International Journal of Quantum Chemistry

    Volume 113, Issue 19, 5 October 13, Pages: 2181–2199, Richard H. Squire, Norman H. March, Rebecca A. Minnick and Richard Turschmann

    Version of Record online : 2 APR 2013, DOI: 10.1002/qua.24423

  14. 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

  15. Electrophilicity kernel and its hierarchy through softness in conceptual density functional theory

    International Journal of Quantum Chemistry

    Volume 113, Issue 18, September 15, 2013, Pages: 2163–2171, Mihai V. Putz and Pratim K. Chattaraj

    Version of Record online : 4 JUN 2013, DOI: 10.1002/qua.24473

  16. Position and momentum information-theoretic measures of the pseudoharmonic potential

    International Journal of Quantum Chemistry

    Volume 115, Issue 21, November 5, 2015, Pages: 1543–1552, W. A. Yahya, K. J. Oyewumi and K. D. Sen

    Version of Record online : 22 JUL 2015, DOI: 10.1002/qua.24971

  17. Dealing with the shifted and inverted Tietz–Hua oscillator potential using the J-matrix method

    International Journal of Quantum Chemistry

    Volume 116, Issue 12, June 15, 2016, Pages: 897–907, Mohamed S. Abdelmonem, Afaf Abdel-Hady and Ibraheem Nasser

    Version of Record online : 25 JUN 2015, DOI: 10.1002/qua.24968

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    Perspective on natural orbital functional theory

    International Journal of Quantum Chemistry

    Volume 114, Issue 18, September 15, 2014, Pages: 1169–1175, Mario Piris and Jesus M. Ugalde

    Version of Record online : 10 MAR 2014, DOI: 10.1002/qua.24663

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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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    Quantal cumulant dynamics for real-time simulations of quantum many-body systems

    International Journal of Quantum Chemistry

    Volume 115, Issue 5, March 5, 2015, Pages: 300–308, Yasuteru Shigeta, Ryuhei Harada, Megumi Kayanuma and Mitsuo Shoji

    Version of Record online : 24 NOV 2014, DOI: 10.1002/qua.24820