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There are 12942 results for: content related to: Reconstructing interference fringes in slit experiments by complex quantum trajectories

  1. Electronic structure and chemical bonding in the ground and low-lying electronic states of Ta2

    International Journal of Quantum Chemistry

    Volume 111, Issue 7-8, June - July 2011, Pages: 1306–1315, Antonio Carlos Borin and João Paulo Gobbo

    Version of Record online : 16 MAR 2010, DOI: 10.1002/qua.22565

  2. Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches

    International Journal of Quantum Chemistry

    Volume 109, Issue 14, 15 November 2009, Pages: 3268–3304, Piotr Piecuch, Jeffrey R. Gour and Marta Włoch

    Version of Record online : 22 JUL 2009, DOI: 10.1002/qua.22367

  3. Theoretical calculations of transition probabilities and oscillator strengths for Ti III and Ti IV

    International Journal of Quantum Chemistry

    Volume 109, Issue 2, 2009, Pages: 145–159, Tian-Yi Zhang, Neng-Wu Zheng and Dong-Xia Ma

    Version of Record online : 25 AUG 2008, DOI: 10.1002/qua.21773

  4. Complete set of solutions of the generalized Bloch equation

    International Journal of Quantum Chemistry

    Volume 80, Issue 4-5, 2000, Pages: 757–781, K. Kowalski and P. Piecuch

    Version of Record online : 20 OCT 2000, DOI: 10.1002/1097-461X(2000)80:4/5<757::AID-QUA25>3.0.CO;2-A

  5. Coupled-cluster theory for the polarizable continuum model. III. A response theory for molecules in solution

    International Journal of Quantum Chemistry

    Volume 112, Issue 13, 5 July 2012, Pages: 2547–2560, R. Cammi

    Version of Record online : 21 JAN 2012, DOI: 10.1002/qua.23271

  6. Unpaired electrons at the second-order reduced density matrix level: Covalent bonding, and coulomb and fermi correlations in closed shell systems

    International Journal of Quantum Chemistry

    Volume 113, Issue 13, 5 July 2013, Pages: 1775–1786, Padeleimon Karafiloglou and Katerina Kyriakidou

    Version of Record online : 6 FEB 2013, DOI: 10.1002/qua.24399

  7. Hydrogen isotope effects on covalent and noncovalent interactions: The case of protonated rare gas clusters

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1556–1561, Félix Moncada, Lalita S. Uribe, Jonathan Romero and Andrés Reyes

    Version of Record online : 14 NOV 2012, DOI: 10.1002/qua.24360

  8. Highly accurate numerical results for three-center nuclear attraction and two-electron Coulomb and exchange integrals over Slater-type functions

    International Journal of Quantum Chemistry

    Volume 100, Issue 2, 2004, Pages: 172–183, Hassan Safouhi

    Version of Record online : 19 JUL 2004, DOI: 10.1002/qua.20209

  9. Second-order effects in the Hückel model of perturbed alternant hydrocarbons and their coincidence for specific one- and two-center perturbations

    International Journal of Quantum Chemistry

    Volume 106, Issue 9, 2006, Pages: 2145–2160, V. Gineityte

    Version of Record online : 17 MAR 2006, DOI: 10.1002/qua.20978

  10. You have free access to this content
    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

  11. A generalized BEC picture of superconductors

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 3018–3024, M. Grether, M. de Llano and V. V. Tolmachev

    Version of Record online : 9 JUN 2012, DOI: 10.1002/qua.24193

  12. Spin-free quantum electronic structure: Its second quantization and para-Fermionics

    International Journal of Quantum Chemistry

    Volume 111, Issue 1, January 2011, Pages: 76–95, D. J. Klein

    Version of Record online : 26 OCT 2010, DOI: 10.1002/qua.22426

  13. Biorthogonal method of moments of coupled-cluster equations: Alternative derivation, further considerations, and application to a model magnetic system

    International Journal of Quantum Chemistry

    Volume 108, Issue 12, 2008, Pages: 2128–2149, Piotr Piecuch, Jeffrey R. Gour and Marta Włoch

    Version of Record online : 3 JUN 2008, DOI: 10.1002/qua.21745

  14. Theory of strongly correlated electron systems. I. Intersite Coulomb interaction and the approximation of renormalized fermions in total energy calculations

    International Journal of Quantum Chemistry

    Volume 102, Issue 6, 2005, Pages: 1019–1045, I. Sandalov, U. Lundin and O. Eriksson

    Version of Record online : 7 JAN 2005, DOI: 10.1002/qua.20210

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    First principles view on chemical compound space: Gaining rigorous atomistic control of molecular properties

    International Journal of Quantum Chemistry

    Volume 113, Issue 12, 15 June 2013, Pages: 1676–1689, O. Anatole von Lilienfeld

    Version of Record online : 26 FEB 2013, DOI: 10.1002/qua.24375

  16. Non-born–oppenheimer nuclear and electronic densities for a hooke-coulomb model for a four-particle system

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1584–1590, Marcos Becerra, Víctor Posligua and Eduardo V. Ludeña

    Version of Record online : 4 DEC 2012, DOI: 10.1002/qua.24368

  17. Local HSAB rationalization of diels–alder reactions by means of ab initio and ABEEMσπ methods: Stereoselectivity and reaction rate

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1116–1127, Dong-Xia Zhao, Zhen-Zhen Xu and Zhong-Zhi Yang

    Version of Record online : 24 MAY 2012, DOI: 10.1002/qua.24173

  18. Structure and dissociation energy of weakly bound Hmath image (n = 5−8) complexes

    International Journal of Quantum Chemistry

    Volume 107, Issue 4, 2007, Pages: 988–997, Hyun-Il Seo, Ju-Yong Sun, Chang-Ho Shin and Seung-Joon Kim

    Version of Record online : 17 OCT 2006, DOI: 10.1002/qua.21212

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    Spin in density-functional theory

    International Journal of Quantum Chemistry

    Volume 112, Issue 23, 5 December 2012, Pages: 3661–3684, Christoph R. Jacob and Markus Reiher

    Version of Record online : 22 AUG 2012, DOI: 10.1002/qua.24309

  20. Theoretical study of reaction channels for the weakly bound complex systems created with HF, CO2, and various amines

    International Journal of Quantum Chemistry

    Volume 103, Issue 2, 2005, Pages: 198–214, Shyh-Jong Chen, Cheng Chen and Yaw-Shun Hong

    Version of Record online : 8 FEB 2005, DOI: 10.1002/qua.20502