| Hardness of covalent and ionic crystals: first-principle calculations A Šimůnek, J Vackář Physical review letters 96 (8), 085501, 2006 | 484 | 2006 |
| All-electron pseudopotentials J Vackář, M Hyt'ha, A Šimůnek Physical Review B 58 (19), 12712, 1998 | 58 | 1998 |
| dftatom: A robust and general Schrödinger and Dirac solver for atomic structure calculations O Čertík, JE Pask, J Vackář Computer Physics Communications 184 (7), 1777-1791, 2013 | 40 | 2013 |
| Local s, p and d charge distributions and X-ray emission bands of SiO2: alpha-quartz and stishovite A Simunek, J Vackar, G Wiech Journal of Physics: Condensed Matter 5 (7), 867, 1993 | 31 | 1993 |
| Co monolayers and adatoms on Pd (100), Pd (111), and Pd (110): Anisotropy of magnetic properties O Šipr, S Bornemann, H Ebert, S Mankovsky, J Vackář, J Minár Physical Review B—Condensed Matter and Materials Physics 88 (6), 064411, 2013 | 23 | 2013 |
| Adaptability and accuracy of all-electron pseudopotentials J Vackář, A Šimůnek Physical Review B 67 (12), 125113, 2003 | 21 | 2003 |
| Correlation between core-level shift and bulk modulus in transition-metal carbides and nitrides A Simunek, J Vackar Physical Review B 64 (23), 2001 | 20 | 2001 |
| Correlation between core-level shift and bulk modulus in transition-metal carbides and nitrides A Šimůnek, J Vackář Physical Review B 64 (23), 235115, 2001 | 20 | 2001 |
| Symmetrization of atomic forces within the full-potential linearized augmented-plane-wave method A Di Pomponio, A Continenza, R Podloucky, J Vackář Physical Review B 53 (15), 9505, 1996 | 20 | 1996 |
| Convergence study of isogeometric analysis based on Bézier extraction in electronic structure calculations R Cimrman, M Novák, R Kolman, M Tůma, J Plešek, J Vackář Applied Mathematics and Computation 319, 138-152, 2018 | 18 | 2018 |
| Isogeometric analysis in electronic structure calculations R Cimrman, M Novák, R Kolman, M Tůma, J Vackář Mathematics and Computers in Simulation 145, 125-135, 2018 | 17 | 2018 |
| X-ray-absorption near-edge structure of and ZnSe: Experiment and theory O Šipr, P Machek, A Šimůnek, J Vackář, J Horák Physical Review B 56 (20), 13151, 1997 | 17 | 1997 |
| Modelling the valence electronic structure of the core region of an atom in a solid within a local-density approximation pseudopotential framework: reintroduction of the full … J Vackar, A Simunek Journal of Physics: Condensed Matter 6 (16), 3025, 1994 | 17 | 1994 |
| Phase-shift technique for generating generalized norm-conserving semilocal pseudopotentials J Vackář, A Šimunek Solid state communications 81 (10), 837-840, 1992 | 16 | 1992 |
| Core energy levels of Sc and N and their variation with coordination number in ScN A Šimůnek, J Vackář, K Kunc Physical Review B—Condensed Matter and Materials Physics 72 (4), 045110, 2005 | 14 | 2005 |
| Selection rules and extended x-ray bremsstrahlung isochromat spectra of Cu and Pd A Šimůnek, J Vackář, E Sobczak Physical Review B 38 (12), 8515, 1988 | 14 | 1988 |
| Ab initio pseudopotentials for interacting atoms J Vackář, A Šimůnek, R Podloucky Physical Review B 53 (12), 7727, 1996 | 13 | 1996 |
| Integration of free-free radiative-transition matrix elements J Vackář, A Šimůnek, O Šipr Computer physics communications 66 (2-3), 259-265, 1991 | 12 | 1991 |
| Evaluating Hellmann–Feynman forces within non-local pseudopotentials M Novák, J Vackář, R Cimrman Computer Physics Communications 250, 107034, 2020 | 11 | 2020 |
| Finite element method in density functional theory electronic structure calculations J Vackář, O Čertík, R Cimrman, M Novák, O Šipr, J Plešek Advances in the Theory of Quantum Systems in Chemistry and Physics, 199-217, 2012 | 11 | 2012 |
