A numerical Hartree-Fock program for diatomic molecules J Kobus, L Laaksonen, D Sundholm Computer physics communications 98 (3), 346-358, 1996 | 163 | 1996 |
Interatomic coulombic decay: the mechanism for rapid deexcitation of hollow atoms RA Wilhelm, E Gruber, J Schwestka, R Kozubek, TI Madeira, JP Marques, ... Physical review letters 119 (10), 103401, 2017 | 98 | 2017 |
Finite-difference versus finite-element methods J Kobus Chemical physics letters 202 (1-2), 7-12, 1993 | 93 | 1993 |
Comparison of static and dynamic 18F-FDG PET/CT for quantification of pulmonary inflammation in acute lung injury A Braune, F Hofheinz, T Bluth, T Kiss, J Wittenstein, M Scharffenberg, ... Journal of Nuclear Medicine 60 (11), 1629-1634, 2019 | 59* | 2019 |
A comparison of finite basis set and finite difference methods for the ground state of the CS molecule J Kobus, D Moncrieff, S Wilson Journal of Physics B: Atomic, Molecular and Optical Physics 27 (14), 2867, 1994 | 59 | 1994 |
Comparison of the electric moments obtained from finite basis set and finite-difference Hartree-Fock calculations for diatomic molecules J Kobus, D Moncrieff, S Wilson Physical Review A 62 (6), 062503, 2000 | 55 | 2000 |
A comparison of finite difference and finite basis set Hartree-Fock calculations for the ground state potential energy curve of CO J Kobus, D Moncrieff, S Wilson Journal of Physics B: Atomic, Molecular and Optical Physics 27 (21), 5139, 1994 | 53 | 1994 |
A finite difference Hartree–Fock program for atoms and diatomic molecules J Kobus Computer Physics Communications 184 (3), 799-811, 2013 | 50 | 2013 |
Diatomic molecules: Exact solutions of HF equations J Kobus Advances in Quantum Chemistry 28, 1-14, 1997 | 50 | 1997 |
A comparison of finite basis set and finite difference Hartree-Fock calculations for the BF, AlF and GaF molecules J Kobus, D Moncrieff, S Wilson Molecular Physics 86 (6), 1315-1330, 1995 | 45 | 1995 |
A universal basis set for high precision electronic structure studies D Moncrieff, J Kobus, S Wilson Journal of Physics B: Atomic, Molecular and Optical Physics 28 (20), 4555, 1995 | 42 | 1995 |
Quasirelativistic methods J Karwowski, J Kobus International journal of quantum chemistry 28 (6), 741-756, 1985 | 40 | 1985 |
Vectorizable algorithm for the (multicolour) successive overrelaxation method J Kobus Computer physics communications 78 (3), 247-255, 1994 | 39 | 1994 |
Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree-Fock calculations for diatomic molecules J Kobus, D Moncrieff, S Wilson Journal of Physics B: Atomic, Molecular and Optical Physics 34 (24), 5127, 2001 | 37 | 2001 |
Matrix elements of rq for quasirelativistic and Dirac hydrogenic wavefunctions J Kobus, J Karwowski, W Jaskólski Journal of Physics A: Mathematical and General 20 (11), 3347, 1987 | 33 | 1987 |
Hartree-Fock limit values of multipole moments, polarizabilities, and hyperpolarizabilities for atoms and diatomic molecules J Kobus Physical Review A 91 (2), 022501, 2015 | 31 | 2015 |
The dirac second‐order equation and an improved quasirelativistic theory of atoms J Karwowski, J Kobus International journal of quantum chemistry 30 (6), 809-819, 1986 | 24 | 1986 |
A comparison of finite basis set and finite difference Hartree—Fock calculations for the open shell (X2Σ+), species BeF, BO, CN and N2+ J Kobus, D Moncrieff, S Wilson Molecular Physics 96 (10), 1559-1567, 1999 | 23 | 1999 |
Three-photon ionization of Ca RS Dygdala, K Karasek, F Giammanco, J Kobus, A Pabjanek-Zawadzka, ... Journal of Physics B: Atomic, Molecular and Optical Physics 31 (10), 2259, 1998 | 21 | 1998 |
Three-photon resonances due to autoionizing states in calcium A Zawadzka, RS Dygdala, A Raczynski, J Zaremba, J Kobus Journal of Physics B: Atomic, Molecular and Optical Physics 35 (8), 1801, 2002 | 20 | 2002 |