Publikacje
2022
- J. Kobus, A. Kędziorski,
"Two-dimensional, finite-difference method of solving the Dirac equation for diatomic molecules revisited"
Mol. Phys. e2092563 (2022), 1-16
DOI: 10.1080/00268976.2022.2092563
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,
"Interatomic Coulombic decay: the mechanism for rapid deexcitation of hollow atoms"
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