Collect. Czech. Chem. Commun. 2011, 76, 327-341
https://doi.org/10.1135/cccc2010151
Published online 2011-03-23 23:02:39

Potential energy curve of N2 revisited

Vladimír Špirkoa,*, Xiangzhu Lib and Josef Paldusb

a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i, Center for Biomolecules and Complex Molecular Systems, Flemingovo nám. 2, 166 10 Prague 6, Czech Republic
b Department of Applied Mathematics, University of Waterloo, Waterloo, ON Canada N2L 3G1

Individual author index pages


Other CCCC articles of these authors

  • Ota Bludský, Petr Nachtigall and Vladimír Špirko*
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  • Vladimír Špirko, Ota Bludský and Wolfgang P. Kraemer*
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    2008, Vol. 73, Issue 6-7, pp. 873–897 [Abstract]
  • Filip Holka, Pavel Neogrády, Miroslav Urban* and Josef Paldus
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    2007, Vol. 72, Issue 2, pp. 197–222 [Abstract]
  • Josef Paldus* and Xiangzhu Li
    Correction for Triples in Reduced Multireference Coupled-Cluster Approaches
    2007, Vol. 72, Issue 1, pp. 100–120 [Abstract]
  • Xiangzhu Li
    General-Model-Space State-Universal Coupled-Cluster Method: Excited States of Ozone
    2005, Vol. 70, Issue 6, pp. 755–770 [Abstract]
  • Vladimír Špirko
    Potential Energy Curve of N2 in Its Ground Electronic State
    2005, Vol. 70, Issue 6, pp. 731–739 [Abstract]
  • Josef Paldus and Xiangzhu Li
    Can We Avoid the Intruder-State Problems in the State-Universal Coupled-Cluster Approaches While Preserving Size Extensivity?
    2004, Vol. 69, Issue 1, pp. 90–104 [Abstract]
  • Veronika Horká, Svatopluk Civiš*, Vladimír Špirko and Kentarou Kawaguchi
    The Infrared Spectrum of CN in Its Ground Electronic State
    2004, Vol. 69, Issue 1, pp. 73–89 [Abstract]
  • Josef Paldus* and Xiangzhu Li
    Externally Corrected Coupled-Cluster Approaches: Energy versus Amplitude Corrected CCSD
    2003, Vol. 68, Issue 3, pp. 554–586 [Abstract]
  • Holger Meissner and Josef Paldus
    Analytic Energy Derivatives for the Direct Iterative Approach to the Generalized Bloch Equation
    2001, Vol. 66, Issue 8, pp. 1164–1190 [Abstract]
  • Xiangzhu Li and Josef Paldus
    Singlet-Triplet Splitting in Methylene: An Accurate Description of Dynamic and Nondynamic Correlation by Reduced Multireference Coupled Cluster Method
    1998, Vol. 63, Issue 9, pp. 1381–1393 [Abstract]
  • Michal Juřek, Vladimír Špirko and Wolfgang P. Kraemer
    Expectation Values of Quasibound States: Nuclear Quadrupole Coupling Constants of BH in the X1 Σ+ and B1 Σ+ States
    1998, Vol. 63, Issue 9, pp. 1309–1320 [Abstract]
  • Andrzej J. Sadlej, Ota Bludský and Vladimír Špirko
    Vibrational Dynamics of the H2O . HF Complex. Potential Energy and Electric Dipole Moment Surfaces
    1993, Vol. 58, Issue 12, pp. 2813–2830 [Abstract]
  • Ladislav Češpiva, Vlasta Bonačič-Koutecký, Jaroslav Koutecký, Per Jensen, Vojtěch Hrouda, Petr Čársky, Vladimír Špirko and Pavel Hobza
    Ab initio Calculations of the Rotation-Vibration Spectrum of Na3+
    1993, Vol. 58, Issue 1, pp. 24–28 [Abstract]
  • Josef Paldus, Paul E. S. Wormer and Marc Benard
    Coupled-pair theories and Davidson-type corrections for quasidegenerate states: The H4 model revisited
    1988, Vol. 53, Issue 9, pp. 1919–1942 [Abstract]
  • Jan Vojtík, Vladimír Špirko and Per Jensen
    Vibrational energies of H3+ and Li3+ based on the diatomics-in-molecules potentials
    1986, Vol. 51, Issue 10, pp. 2057–2062 [Abstract]
  • Vladimír Špirko, Svatopluk Civiš, Stanislav Beran, Petr Čársky and Jürgen Fabian
    Reduced double-minimum potential curves for XY3 pyramidal molecules
    1985, Vol. 50, Issue 7, pp. 1519–1536 [Abstract]
  • Ivan Kozák, Vladimír Špirko and Petr Čársky
    Ab initio calculations of the ground state potential function of the hydroxyl anion by means of the many-body Rayleigh-Schrödinger perturbation theory
    1981, Vol. 46, Issue 11, pp. 2595–2599 [Abstract]