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Miroslav Iliaš
Miroslav Iliaš
Department of Chemistry; Faculty of Natural Sciences; Matej Bel University; Slovakia
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An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation
M Iliaš, T Saue
The Journal of chemical physics 126 (6), 064102, 2007
4722007
The molecular mean-field approach for correlated relativistic calculations
J Sikkema, L Visscher, T Saue, M Iliaš
The Journal of chemical physics 131 (12), 124116, 2009
1892009
The DIRAC code for relativistic molecular calculations
T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ...
The Journal of Chemical Physics 152 (20), 204104, 2020
1302020
Theoretical study of PbO and the PbO anion
M Iliaš, HJA Jensen, V Kellö, BO Roos, M Urban
Chemical physics letters 408 (4-6), 210-215, 2005
1012005
Relativistic effects in atomic and molecular properties
M Iliaš, V Kelloe, M Urban
Acta Physica Slovaca. Reviews and Tutorials 60 (3), 259-391, 2010
892010
Comparative study of electron correlation and relativistic effects in CuF, AgF, and AuF
M Iliaš, P Furdík, M Urban
The Journal of Physical Chemistry A 102 (27), 5263-5268, 1998
601998
Gauge origin independent calculations of nuclear magnetic shieldings in relativistic four-component theory
M Iliaš, T Saue, T Enevoldsen, HJA Jensen
The Journal of chemical physics 131 (12), 124119, 2009
572009
Analysis of parity violation in chiral molecules
R Bast, A Koers, ASP Gomes, M Iliaš, L Visscher, P Schwerdtfeger, ...
Physical Chemistry Chemical Physics 13 (3), 864-876, 2011
532011
Inclusion of mean-field spin–orbit effects based on all-electron two-component spinors: Pilot calculations on atomic and molecular properties
M Iliaš, V Kellö, L Visscher, B Schimmelpfennig
The Journal of Chemical Physics 115 (21), 9667-9674, 2001
472001
Relativistic study of nuclear-anapole-moment effects in diatomic molecules
A Borschevsky, M Iliaš, VA Dzuba, VV Flambaum, P Schwerdtfeger
Physical Review A 88 (2), 022125, 2013
452013
Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer
M Hanni, P Lantto, M Iliaš, HJA Jensen, J Vaara
The Journal of chemical physics 127 (16), 164313, 2007
432007
Gauge origin independent calculations of molecular magnetisabilities in relativistic four-component theory
M Iliaš, HJA Jensen, R Bast, T Saue
Molecular Physics 111 (9-11), 1373-1381, 2013
282013
DIRAC, a relativistic ab initio electronic structure program
L Visscher, HJA Jensen, T Saue, R Bast, S Dubillard, KG Dyall, U Ekstrom, ...
Release DIRAC13 http://www. diracprogram. org, 2013
23*2013
Hexacarbonyls of Mo, W, and Sg: Metal–CO Bonding Revisited
M Iliaš, V Pershina
Inorganic chemistry 56 (3), 1638-1645, 2017
212017
P-odd interaction constant W A from relativistic ab initio calculations of diatomic molecules
A Borschevsky, M Iliaš, VA Dzuba, K Beloy, VV Flambaum, ...
Physical Review A 85 (5), 052509, 2012
202012
Nuclear anapole moment interaction in BaF from relativistic coupled-cluster theory
Y Hao, M Iliaš, E Eliav, P Schwerdtfeger, VV Flambaum, A Borschevsky
Physical Review A 98 (3), 032510, 2018
192018
DIRAC, a relativistic ab initio electronic structure program, release DIRAC11
R Bast, T Saue, L Visscher, HJ Aa. Jensen, V Bakken, KG Dyall, ...
192012
Ionization potentials of Zn, Cd, Hg and dipole polarizabilities of Zn+, Cd+, Hg+: correlation and relativistic effects
M Iliaš, P Neogrády
Chemical physics letters 309 (5-6), 441-449, 1999
191999
Nuclear-spin-dependent parity violation in diatomic molecular ions
A Borschevsky, M Iliaš, VA Dzuba, K Beloy, VV Flambaum, ...
Physical Review A 86 (5), 050501, 2012
182012
Dirac, a relativistic ab initio electronic structure program, Release DIRAC08
L Visscher, HJA Jensen, T Saue, S Dubbilard, R Bast, KG Dyall, ...
With new contributions from Bast R, Dubillard S, Dyall KG, Ekstrsm U, Eliav …, 2008
172008
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Artículos 1–20