Miroslav Iliaš

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Trond SaueResearcher, Laboratoire de Chimie et Physique Quantiques, CNRS/Université de ToulouseVerified email at irsamc.ups-tlse.fr
A. BorschevskyThe van Swinderen Institute, University of GroningenVerified email at rug.nl
Hans Jørgen Aagaard JensenDepartment of Physics, Chemistry and Pharmacy; University of Southern DenmarkVerified email at sdu.dk
Peter SchwerdtfegerDist. Professor, Theoretical Chemistry and Physics, NZIAS, Massey University, Auckland, New ZealandVerified email at massey.ac.nz
FlambaumProfessor of Physics, University of New South WalesVerified email at unsw.edu.au
Miroslav UrbanProfessor of Theoretical and Computational Chemistry, Comenius University, BratislavaVerified email at uniba.sk
Vladimir Kellöprofessor of physical chemistry and chemical physics Comenius University BratislavaVerified email at uniba.sk
Lucas VisscherProfessor of Theoretical Chemistry, VU University AmsterdamVerified email at vu.nl
Ephraim EliavKAMEA Research Professor, School of Chemistry, Tel Aviv UniversityVerified email at tau.ac.il
Andre Severo Pereira GomesCNRS, Universite de Lille, Laboratoire de Physique des Lasers, Atomes et Molécules (UMR8523)Verified email at univ-lille.fr
Perttu LanttoUniversity Researcher (Associate Professor), NMR Research Unit, University of OuluVerified email at oulu.fi
Šimon BudzákMatej Bel UniversityVerified email at umb.sk
Marek SkorsepaMatej Bel UniversityVerified email at umb.sk
Viktor IaroshenkoKTH Royal Institute of TechnologyVerified email at kth.se
Mohanad ShkoorDepartment of Chemistry and Earth Sciences Qatar UniversityVerified email at qu.edu.qa
Timo FleigProfessor, University of Toulouse III Paul SabatierVerified email at irsamc.ups-tlse.fr
Matteo GiantomassiUniversité catholique de LouvainVerified email at uclouvain.be
Alexander G. KvashninFull Professor, Skolkovo Institute of Science and TechnologyVerified email at skoltech.ru
Christian TantardiniUiT The Arctic University of NorwayVerified email at uit.no
Xavier GonzeProfessor of Computational Material Science (UCLouvain, Belgium)Verified email at uclouvain.be

Miroslav Iliaš

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Verified email at theor.jinr.ru - Homepage

Computational Molecular Physics


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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), 2007	588	2007
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), 2020	314	2020
The molecular mean-field approach for correlated relativistic calculations J Sikkema, L Visscher, T Saue, M Iliaš The Journal of chemical physics 131 (12), 2009	254	2009
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	104	2005
Relativistic effects in atomic and molecular properties M Iliaš, V Kelloe, M Urban Acta Physica Slovaca. Reviews and Tutorials 60 (3), 259-391, 2010	96	2010
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	70	2011
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	70	2009
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	63	1998
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	60	2001
Relativistic study of nuclear-anapole-moment effects in diatomic molecules A Borschevsky, M Iliaš, VA Dzuba, VV Flambaum, P Schwerdtfeger Physical Review A—Atomic, Molecular, and Optical Physics 88 (2), 022125, 2013	50	2013
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	49	2007
Systematic study and uncertainty evaluation of P, T-odd molecular enhancement factors in BaF PAB Haase, DJ Doeglas, A Boeschoten, E Eliav, M Iliaš, P Aggarwal, ... The Journal of chemical physics 155 (3), 034309, 2021	34	2021
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	33	2013
Mechanochemical Conversion of Aromatic Amines to Aryl Trifluoromethyl Ethers M Jakubczyk, S Mkrtchyan, M Shkoor, S Lanka, Š Budzák, M Iliaš, ... Journal of the American Chemical SocietyJournal of the American Chemical …, 2022	28	2022
Hyperfine structure constants on the relativistic coupled cluster level with associated uncertainties PAB Haase, E Eliav, M Iliaš, A Borschevsky The Journal of Physical Chemistry A 124 (16), 3157-3169, 2020	27	2020
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	27	2018
Hexacarbonyls of Mo, W, and Sg: Metal–CO Bonding Revisited M Iliaš, V Pershina Inorganic chemistry 56 (3), 1638-1645, 2017	26	2017
Nuclear spin-dependent parity-violating effects in light polyatomic molecules Y Hao, P Navrátil, EB Norrgard, M Iliaš, E Eliav, RGE Timmermans, ... Physical Review A 102 (5), 052828, 2020	25	2020
Nuclear-spin-dependent parity violation in diatomic molecular ions A Borschevsky, M Iliaš, VA Dzuba, K Beloy, VV Flambaum, ... Physical Review A—Atomic, Molecular, and Optical Physics 86 (5), 050501, 2012	23	2012
-odd interaction constant from relativistic ab initio calculations of diatomic molecules A Borschevsky, M Iliaš, VA Dzuba, K Beloy, VV Flambaum, ... Physical Review A—Atomic, Molecular, and Optical Physics 85 (5), 052509, 2012	22	2012

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