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There are 33748 results for: content related to: Comment on “Density and physical current density functional theory”

  1. You have full text access to this OnlineOpen article
    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

  2. Network analysis for active and passive propagation models

    Networks

    Volume 63, Issue 2, March 2014, Pages: 160–169, In-Jae Kim, Brian P. Barthel, Yuyoung Park, Jordan R. Tait, Joseph L. Dobmeier, Sung Kim and Dooyoung Shin

    Version of Record online : 11 OCT 2013, DOI: 10.1002/net.21532

  3. Electronic quantum trajectories in a quantum dot

    International Journal of Quantum Chemistry

    Volume 114, Issue 14, 15 July 2014, Pages: 920–930, Ciann-Dong Yang and Shih-Ming Huang

    Version of Record online : 22 APR 2014, DOI: 10.1002/qua.24692

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    Calculation of response properties with the normalized elimination of the small component method

    International Journal of Quantum Chemistry

    Volume 114, Issue 15, 5 August 2014, Pages: 993–1005, Michael Filatov, Wenli Zou and Dieter Cremer

    Version of Record online : 14 NOV 2013, DOI: 10.1002/qua.24578

  5. The impact of bitwise operators on hash uniformity in network packet processing

    International Journal of Communication Systems

    Volume 27, Issue 11, November 2014, Pages: 3158–3184, Bing Xiong, Kun Yang, Feng Li, Xiaosu Chen, Jianming Zhang, Qiang Tang and Yuansheng Luo

    Version of Record online : 3 APR 2013, DOI: 10.1002/dac.2532

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    CRYSTAL14: A program for the ab initio investigation of crystalline solids

    International Journal of Quantum Chemistry

    Volume 114, Issue 19, October 5, 2014, Pages: 1287–1317, Roberto Dovesi, Roberto Orlando, Alessandro Erba, Claudio M. Zicovich-Wilson, Bartolomeo Civalleri, Silvia Casassa, Lorenzo Maschio, Matteo Ferrabone, Marco De La Pierre, Philippe D'Arco, Yves Noël, Mauro Causà, Michel Rérat and Bernard Kirtman

    Version of Record online : 11 MAR 2014, DOI: 10.1002/qua.24658

  7. Massively parallel MP2-F12 calculations on the K computer

    International Journal of Quantum Chemistry

    Volume 115, Issue 5, March 5, 2015, Pages: 333–341, Yu-ya Ohnishi, Kazuya Ishimura and Seiichiro Ten-no

    Version of Record online : 17 NOV 2014, DOI: 10.1002/qua.24819

  8. Nuclear cusp conditions and their fulfillment in molecular calculations with SLATER basis sets

    International Journal of Quantum Chemistry

    Volume 114, Issue 20, October 15, 2014, Pages: 1393–1400, Jaime Fernández Rico, Rafael López, Ignacio Ema and Guillermo Ramírez

    Version of Record online : 3 MAR 2014, DOI: 10.1002/qua.24657

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    Generalized time-dependent approaches to vibrationally resolved electronic and Raman spectra: Theory and applications

    International Journal of Quantum Chemistry

    Volume 115, Issue 9, May 5, 2015, Pages: 550–563, Wanzhen Liang, Huili Ma, Hang Zang and Chuanxiang Ye

    Version of Record online : 27 NOV 2014, DOI: 10.1002/qua.24824

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    Phase/current information descriptors and equilibrium states in molecules

    International Journal of Quantum Chemistry

    Volume 115, Issue 19, October 5, 2015, Pages: 1274–1288, Roman F. Nalewajski

    Version of Record online : 10 SEP 2014, DOI: 10.1002/qua.24750

  11. Spherical confinement of coulombic systems inside an impenetrable box: H atom and the Hulthén potential

    International Journal of Quantum Chemistry

    Volume 115, Issue 15, August 5, 2015, Pages: 937–947, Amlan K. Roy

    Version of Record online : 10 MAY 2015, DOI: 10.1002/qua.24929

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    Multiscale theory and simulation of plasmon-enhanced molecular optical processes

    International Journal of Quantum Chemistry

    Volume 114, Issue 21, November 5, 2014, Pages: 1413–1420, David J. Masiello

    Version of Record online : 17 MAY 2014, DOI: 10.1002/qua.24705

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    Gradient-driven molecule construction: An inverse approach applied to the design of small-molecule fixating catalysts

    International Journal of Quantum Chemistry

    Volume 114, Issue 13, 5 July 2014, Pages: 838–850, Thomas Weymuth and Markus Reiher

    Version of Record online : 25 APR 2014, DOI: 10.1002/qua.24686

  14. Electronic properties and 1/3 magnetization plateau of the S=1/2 magnetism Cu3(P2O6OH)2

    International Journal of Quantum Chemistry

    Volume 115, Issue 6, March 15, 2015, Pages: 406–412, Long-Juan Kong, Guang-Hua Liu, Yu Zhang and Ling Qiang

    Version of Record online : 24 DEC 2014, DOI: 10.1002/qua.24861

  15. Convergence of the bipolar expansion for the coulomb potential

    International Journal of Quantum Chemistry

    Volume 114, Issue 16, August 15, 2014, Pages: 1073–1078, Harris J. Silverstone

    Version of Record online : 19 FEB 2014, DOI: 10.1002/qua.24630

  16. Reply to the comment on “CCSD study of anharmonic Raman cross sections of fundamental, overtone, and combination transitions”

    International Journal of Quantum Chemistry

    Volume 113, Issue 24, 15 December 2013, Pages: 2637–2639, Luciano N. Vidal and Pedro A. M. Vazquez

    Version of Record online : 17 JUL 2013, DOI: 10.1002/qua.24513

  17. Half-Heusler materials as model systems for phase-separated thermoelectrics

    physica status solidi (a)

    Volume 213, Issue 3, March 2016, Pages: 716–731, Gerhard H. Fecher, Elisabeth Rausch, Benjamin Balke, Anke Weidenkaff and Claudia Felser

    Version of Record online : 30 NOV 2015, DOI: 10.1002/pssa.201532595

  18. NTChem: A high-performance software package for quantum molecular simulation

    International Journal of Quantum Chemistry

    Volume 115, Issue 5, March 5, 2015, Pages: 349–359, Takahito Nakajima, Michio Katouda, Muneaki Kamiya and Yutaka Nakatsuka

    Version of Record online : 29 DEC 2014, DOI: 10.1002/qua.24860

  19. Electronic transition dipole moment: A semi-biorthogonal approach within valence universal coupled cluster framework

    International Journal of Quantum Chemistry

    Volume 114, Issue 18, September 15, 2014, Pages: 1212–1219, Debarati Bhattacharya, Nayana Vaval and Sourav Pal

    Version of Record online : 22 APR 2014, DOI: 10.1002/qua.24691

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    The chemical physics of unconventional superconductivity

    International Journal of Quantum Chemistry

    Volume 114, Issue 16, August 15, 2014, Pages: 1053–1059, Sumitendra Mazumdar and Rudolf Torsten Clay

    Version of Record online : 20 FEB 2014, DOI: 10.1002/qua.24637