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Publikacje

Typ publikacji:Wszystko Książka Artykuł Rozdział
Lista filadelfijska:Wszystko Tak Nie  



2017
  • R. A. Wilhelm, E. Gruber, J. Schwestka, R. Kozubek, T. I. Madeira, J. P. Marques, J. Kobus, A. V. Krasheninnikov, M. Schleberger , F. Aumayr,
    "Low energy electron splash from graphene driven by interatomic coulombic decay of a highly charged ion"
    Phys. Rev. Lett. 119 (2017), 103401-1-103401-6
    DOI: 10.1103/PhysRevLett.119.103401





2016
  • J. C. Morrison, K. Steffen, B. Pantoja, A. Nagaiya, J. Kobus, T. Ericsson,
    "Numerical Methods for Solving the Hartree-Fock Equations of Diatomic Molecules II"
    Commun. Comput. Phys. 19 (2016), 632-647
    DOI: 10.4208/cicp.101114.170615a





2015
  • J. Kobus,
    " Hartree-Fock limit values of multipole moments, polarizabilities and hyperpolarizabilities for atoms and diatomic molecules "
    Phys. Rev. A. A91 (2015), 022501-1-02250-10
    DOI: 10.1103/PhysRevA.91.022501

  • Khaled Bodoor, J. Kobus, John Morrison,
    "A numerical solution of the pair equation of a model two-electron diatomic system"
    Int. J. Quantum Chem. 115 (2015), 868-874
    DOI: 10.1002/qua.24921





2013
  • J. Kobus,
    "Finite difference Hartree-Fock program for atoms and diatomic molecules"
    Comp. Phys. Commun. 184 (2013), 799-811
    DOI: 10.1016/j.cpc.2012.09.033





2012
  • J. Kobus,
    "Overview of finite difference Hartree-Fock method. Algorithm, implementation and application"
    AIP Conf. Proc. 1504 (2012), 189-208





2008
  • V. N. Glushkov, J. Kobus, S. Wilson,
    "Distributed Gaussian basis sets: a comparison with finite difference Hartree-Fock calculations for potential energy curves of H2, LiH and BH"
    J. Phys. B: At. Mol. Phys. 41 (2008), 205102





2007
  • J. Kobus, D. Moncrieff, S. Wilson,
    "Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree-Fock calculations for diatomic molecules: III. The ground states of N2, CO and BF"
    J. Phys. B: At. Mol. Phys. 40 (2007), 877-896

  • J. Kobus,
    "Hartree-Fock-limit values of multipole moments, polarizabilities and hyperpolarizabilities for atoms and diatomic molecules"
    Comp. Lett. 3 (2007), 71-113





2006
  • E.Matito, J. Kobus, J.Styszyński,
    "Bond centred functions in relativistic and non-relativistic calculations for diatomics"
    Chem. Phys. Lett. 321 (2006), 277-284

  • J. Kobus, D. Moncrieff, S. Wilson,
    "Electric properties of diatomic molecules: a comparison of finite basis set and finite difference Hartree-Fock calculations Computational Aspects of Electric Polarizability Calculations: Atoms, Molecules and Clusters, (G. Maroulis ed.), pp. 377-406"
    in Computational Aspects of Electric Polarizability Calculations: Atoms, Molecules and Clusters, G. Maroulis, IOS Press (2006), pp. 377-406
    ISBN: 9781586036430





2005
  • J. Kobus,
    "Algebraiczne metody rozwiązywania równania Schroedingera, recenzja książki"
    Postępy Fizyki 56/1 (2005), 41





2004
  • J. Kobus, D. Moncrieff, S. Wilson,
    "Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree-Fock calculations for diatomic molecules: II. Refinement of basis sets and grids for hyperpolarizability calculations"
    J. Phys. B: At. Mol. Phys. 37 (2004), 571-585

  • J. Kobus, D.Moncrieff, S.Wilson,
    "Electric properties of diatomic molecules: A comparison of finite basis set and finite difference Hartree-Fock calculations"
    J. Comput. Methods Sci. Eng. 4 (2004), 611-640

  • J. Kobus, D. Moncrieff, S. Wilson,
    "Electric properties of diatomic molecules: a comparison of finite basis set and finite difference Hartree-Fock calculations"
    J. Comput. Methods Sci. Eng. 4 (2004), 611-640





2003
  • J. Kobus,
    "Numerical Hartree-Fock methods for diatomic molecules in \"
    in Handbook of Molecular Physics and Quantum Chemistry, John Wiley and Sons, New York (2003), pp. 1-25
    ISBN: 0471623741

  • J. Styszyński, J. Kobus,
    "Relativistic and correlation effects on spectroscopic constants of the hydrogen astatide molecule"
    Chem. Phys. Lett. 369 (2003), 441





2002
  • J. Kobus, D. Moncrieff, S. Wilson,
    "A comparison of finite basis set and finite difference Hartree-Fock calculations for the open-shell X^2 Sigma+ BaF and YbF"
    Mol. Phys. 100 (2002), 499-508

  • S. Wilson, D. Moncrieff, J. Kobus,
    "Comments on the basis sets used in recent studies of electron correlation in small molecules"
    in New trends in quantum systems in chemistry and physics.Progress in Theoretical Chemistry and Physics , Springer Netherlands (2002), pp. 115-132
    ISBN: 978-0-306-46951-0

  • A. Zawadzka, R. S. Dygdała, A. Raczyński, J. Zaremba, J. Kobus,
    "Three-photon resonances due to autoionizing states in calcium"
    J. Phys. B: At. Mol. Phys. 35 (2002), 1801-1817
    DOI: 10.1088/0953-4075/35/8/301





2001
  • J. Kobus, H. Quiney, S. Wilson,
    "A comparison of finite difference and finite basis set Hartree-Fock calculations for the N_2 molecule with finite nuclei"
    J. Phys. B: At. Mol. Phys. 34 (2001), 2045-2056

  • L. Smentek, B. Wybourne, J. Kobus,
    "A relativistic crystal field for S-state f electron ions"
    J. Phys. B: At. Mol. Phys. 34 (2001), 1513-1522

  • J. Kobus, D. Moncrieff, S. Wilson,
    "Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite field, finite difference Hartree-Fock calculations for diatomic molecules"
    J. Phys. B: At. Mol. Phys. 34 (2001), 5127-5143

  • J. Kobus, D. Moncrieff, S. Wilson,
    "Visualization of deficiencies in approximate molecular wave functions: the local orbital energy function for the matrix Hartree-Fock model"
    Mol. Phys. 99 (2001), 315-326





2000
  • J. Kobus, D. Moncrieff, S. Wilson,
    "A comparison of finite basis set and finite difference Hartree-Fock calculations for the open-shell X^2 Sigma+ species BeF, MgF, CaF and SrF"
    Mol. Phys. 98 (2000), 401-408

  • J. Kobus, D. Moncrieff, S. Wilson,
    "A comparison of the electric moments obtained from finite basis set and finite difference Hartree-Fock calculations for diatomic molecules"
    Phys. Rev. A. 62 (2000), 062503/1-9





1998
  • R. Dygdała , K. Karasek , F. Giammanco , J. Kobus, A. Zawadzka, A. Raczyński, J. Zaremba, M. Zieliński,
    "Three-photon ionization of Ca"
    J. Phys. B: At. Mol. Phys. 31 (1998), 2259-2278
    DOI: 10.1088/0953-4075/31/10/015