Search Results

There are 106882 results for: content related to: Unified analytical treatment for calculation of the two-dimensional Franck–Condon factors using the duschinsky transformation

  1. Spin-free quantum chemistry: What one can gain from fock's cyclic symmetry

    International Journal of Quantum Chemistry

    Volume 111, Issue 15, December 2011, Pages: 4042–4066, A. V. Luzanov

    Version of Record online : 7 DEC 2010, DOI: 10.1002/qua.22943

  2. Density functional theory on phase space

    International Journal of Quantum Chemistry

    Volume 112, Issue 4, 5 February 2012, Pages: 1134–1164, Philippe Blanchard, José M. Gracia-Bond7iacute;a and Joseph C. Várilly

    Version of Record online : 6 MAY 2011, DOI: 10.1002/qua.23101

  3. Density functional theory study on magnetic interactions in the V3+ dimer complexes

    International Journal of Quantum Chemistry

    Volume 113, Issue 6, 15 March 2013, Pages: 745–752, Hidenori Suzuki and Chikatoshi Satoko

    Version of Record online : 21 MAR 2012, DOI: 10.1002/qua.24067

  4. Generalized oscillator strength of endohedral molecules

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 3119–3130, M. Ya. Amusia, L. V. Chernysheva and E. Z. Liverts

    Version of Record online : 20 JUL 2012, DOI: 10.1002/qua.24293

  5. You have free access to this content
    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

  6. Calculation of electric multipole moment integrals with the different screening parameters via the Fourier transform method

    International Journal of Quantum Chemistry

    Volume 112, Issue 2, 15 January 2012, Pages: 414–425, N. Yükçü, İ. Şenlik and E. Öztekin

    Version of Record online : 8 MAR 2011, DOI: 10.1002/qua.23033

  7. 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

  8. The Rayleigh-Schrödinger perturbation series of quasi-degenerate systems

    International Journal of Quantum Chemistry

    Volume 112, Issue 10, 15 May 2012, Pages: 2256–2266, Christian Brouder, Gérard H.E. Duchamp, Frédéric Patras and Gábor Z. Tóth

    Version of Record online : 13 SEP 2011, DOI: 10.1002/qua.23201

  9. The calculation of vibrational energy levels of polyatomic molecules including anharmonic effect using contact transformation perturbation method

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1180–1191, M. Dehestani and Z. Kalantari

    Version of Record online : 30 JUL 2012, DOI: 10.1002/qua.24232

  10. 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

  11. Lamé spheroconal harmonics in atoms and molecules

    International Journal of Quantum Chemistry

    Volume 110, Issue 15, December 2010, Pages: 2765–2774, R. Méndez-Fragoso and E. Ley-Koo

    Version of Record online : 17 AUG 2010, DOI: 10.1002/qua.22806

  12. The δ point interaction two-center system

    International Journal of Quantum Chemistry

    Volume 109, Issue 7, 2009, Pages: 1430–1441, H. Hogreve

    Version of Record online : 4 FEB 2009, DOI: 10.1002/qua.21996

  13. Exact S-wave solution of the trigonometric pöschl-teller potential

    International Journal of Quantum Chemistry

    Volume 112, Issue 6, 15 March 2012, Pages: 1592–1597, M. Hamzavi and A. A. Rajabi

    Version of Record online : 11 JUL 2011, DOI: 10.1002/qua.23166

  14. The electronic terms of the finite-length nanotubes, generated by edge states: A CASSCF study

    International Journal of Quantum Chemistry

    Volume 111, Issue 11, September 2011, Pages: 2592–2601, Mikhail Pavlov and Alexander Ermilov

    Version of Record online : 2 JUN 2010, DOI: 10.1002/qua.22650

  15. 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

    Version of Record online : 19 MAR 2012, DOI: 10.1002/qua.24073

  16. Orbital invariance issue in multireference methods

    International Journal of Quantum Chemistry

    Volume 110, Issue 14, 15 November 2010, Pages: 2603–2613, Liguo Kong

    Version of Record online : 6 OCT 2009, DOI: 10.1002/qua.22401

  17. Intuitive local picture for spin polarization of chemical bonds

    International Journal of Quantum Chemistry

    Volume 110, Issue 6, May 2010, Pages: 1172–1187, Katsuhisa Ohta and Toshikazu Sakai

    Version of Record online : 9 JUL 2009, DOI: 10.1002/qua.22133

  18. Deep nuclear resonant tunneling thermal rate constant calculations

    International Journal of Quantum Chemistry

    Volume 113, Issue 12, 15 June 2013, Pages: 1722–1734, Salvatore Mandrà, Stéphanie Valleau and Michele Ceotto

    Version of Record online : 28 FEB 2013, DOI: 10.1002/qua.24395

  19. Gauge function optimization 2: An accurately solvable model

    International Journal of Quantum Chemistry

    Volume 112, Issue 6, 15 March 2012, Pages: 1620–1641, Atsushi Kubo

    Version of Record online : 11 JUL 2011, DOI: 10.1002/qua.23176

  20. Quantum fidelity for analyzing atoms and fragments in molecule: Application to similarity, chirality, and aromaticity

    International Journal of Quantum Chemistry

    Volume 111, Issue 10, 15 August 2011, Pages: 2196–2220, Anatoliy V. Luzanov

    Version of Record online : 3 FEB 2010, DOI: 10.1002/qua.22510