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There are 12226 results for: content related to: Unitary perturbation theory applied to multiconfigurational reference functions

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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

    Article first published online : 22 AUG 2012, DOI: 10.1002/qua.24309

  2. Some spin and spin-free aspects of coulomb correlation in molecules

    International Journal of Quantum Chemistry

    Volume 112, Issue 17, 5 September 2012, Pages: 2915–2923, A. V. Luzanov

    Article first published online : 3 APR 2012, DOI: 10.1002/qua.24101

  3. Hartree–Fock calculation for excited states

    International Journal of Quantum Chemistry

    Volume 113, Issue 5, 5 March 2013, Pages: 690–693, M. Tassi, Iris Theophilou and S. Thanos

    Article first published online : 12 MAR 2012, DOI: 10.1002/qua.24049

  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

    Article first published online : 9 MAY 2012, DOI: 10.1002/qua.24150

  5. 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

    Article first published online : 9 JUN 2012, DOI: 10.1002/qua.24193

  6. Probability current in protein electron transfer: Löwdin population analysis

    International Journal of Quantum Chemistry

    Volume 112, Issue 20, 15 October 2012, Pages: 3325–3332, Paulo Cesar Peres de Andrade

    Article first published online : 15 JUN 2012, DOI: 10.1002/qua.24197

  7. 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

    Article first published online : 24 MAY 2012, DOI: 10.1002/qua.24173

  8. CCSD study of anharmonic Raman cross sections of fundamental, overtone, and combination transitions

    International Journal of Quantum Chemistry

    Volume 112, Issue 19, 5 October 2012, Pages: 3205–3215, Luciano N. Vidal and Pedro A. M. Vazquez

    Article first published online : 5 MAY 2012, DOI: 10.1002/qua.24144

  9. Beyond Wigner's theorems: The role of symmetry equivalences in quantum systems

    International Journal of Quantum Chemistry

    Volume 112, Issue 21, 5 November 2012, Pages: 3543–3551, Claudio M. Zicovich-Wilson and Alessandro Erba

    Article first published online : 5 JUN 2012, DOI: 10.1002/qua.24184

  10. Explicit and implicit multi-center integrations

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1573–1583, Wolfhard H. G. Koch

    Article first published online : 29 NOV 2012, DOI: 10.1002/qua.24363

  11. Modeling molecular interactions by analytic potentials: Analytic perturbation treatment

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 2986–2997, Eugene S. Kryachko

    Article first published online : 7 MAY 2012, DOI: 10.1002/qua.24136

  12. Charge transfer in composites “dielectric + metal nanoparticles”: Effect of electric and magnetic fields

    International Journal of Quantum Chemistry

    Volume 112, Issue 17, 5 September 2012, Pages: 2904–2914, Mortko Kozhushner and Leonid Trakhtenberg

    Article first published online : 19 MAR 2012, DOI: 10.1002/qua.24073

  13. Excited and core-ionized state calculations with a local potential expressed in terms of the external potential

    International Journal of Quantum Chemistry

    Volume 113, Issue 5, 5 March 2013, Pages: 637–642, V. N. Glushkov

    Article first published online : 23 FEB 2012, DOI: 10.1002/qua.24019

  14. Statistical physics of a mesoscopic fermion system inside a rectangular box

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1234–1242, Radu P. Lungu

    Article first published online : 14 APR 2012, DOI: 10.1002/qua.24128

  15. Arrows of time and fundamental symmetries in chemical physics

    International Journal of Quantum Chemistry

    Volume 113, Issue 3, 5 February 2013, Pages: 173–184, Erkki J. Brändas

    Article first published online : 22 MAY 2012, DOI: 10.1002/qua.24168

  16. Study of simulation method of time evolution in rigged QED

    International Journal of Quantum Chemistry

    Volume 113, Issue 3, 5 February 2013, Pages: 190–202, Kazuhide Ichikawa, Masahiro Fukuda and Akitomo Tachibana

    Article first published online : 7 APR 2012, DOI: 10.1002/qua.24087

  17. Pair natural orbitals in explicitly correlated second-order møller–plesset theory

    International Journal of Quantum Chemistry

    Volume 113, Issue 3, 5 February 2013, Pages: 224–229, David P. Tew and Christof Hättig

    Article first published online : 14 APR 2012, DOI: 10.1002/qua.24098

  18. The potential energy surface of CO2 from an algebraic approach

    International Journal of Quantum Chemistry

    Volume 112, Issue 21, 5 November 2012, Pages: 3498–3507, M. Sánchez-Castellanos, R. Lemus, M. Carvajal and F. Pérez-Bernal

    Article first published online : 5 MAY 2012, DOI: 10.1002/qua.24141

  19. A symmetry adapted approach to the dynamic Jahn-Teller problem: Application to mixed-valence polyoxometalate clusters with keggin structure

    International Journal of Quantum Chemistry

    Volume 112, Issue 17, 5 September 2012, Pages: 2957–2964, Boris Tsukerblat, Andrew Palii, Juan M. Clemente-Juan, Alejandro Gaita-Ariño and Eugenio Coronado

    Article first published online : 15 MAY 2012, DOI: 10.1002/qua.24152

  20. Bondpseudorotation, Jahn-Teller, and pseudo-Jahn-Teller effects in the cyclopentadienyl cation and its pentahalogeno derivatives

    International Journal of Quantum Chemistry

    Volume 112, Issue 20, 15 October 2012, Pages: 3277–3288, Wenli Zou, Michael Filatov and Dieter Cremer

    Article first published online : 27 APR 2012, DOI: 10.1002/qua.24116