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Miroslav Urban
Miroslav Urban
Professor of Theoretical and Computational Chemistry, Comenius University, Bratislava
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MOLCAS 7: the next generation
F Aquilante, L De Vico, N Ferré, G Ghigo, P Malmqvist, P Neogrády, ...
Journal of computational chemistry 31 (1), 224-247, 2010
17212010
Towards a full CCSDT model for electron correlation
M Urban, J Noga, SJ Cole, RJ Bartlett
The Journal of chemical physics 83 (8), 4041-4046, 1985
10331985
THEOCHEM 234, 147 (1991) https://doi. org/10.1016/0166-1280 (91) 89010-X; Google Scholar Crossref AJ Sadlej
AJ Sadlej, M Urban
Theor. Chim. Acta 79, 123, 1991
5851991
Towards a full CCSDT model for electron correlation. CCSDT-n models
J Noga, RJ Bartlett, M Urban
Chemical physics letters 134 (2), 126-132, 1987
3511987
Ab initio calculations: methods and applications in chemistry
P Carsky, M Urban
Springer Science & Business Media, 2012
3122012
Benzene dimer: high-level wave function and density functional theory calculations
M Pitonak, P Neogrády, J Rezac, P Jurecka, M Urban, P Hobza
Journal of chemical theory and computation 4 (11), 1829-1834, 2008
2742008
Medium-size polarized basis sets for high-level-correlated calculations of molecular electric properties: III. Alkali (Li, Na, K, Rb) and alkaline-earth (Be, Mg, Ca, Sr) atoms
AJ Sadlej, M Urban
Journal of Molecular Structure: THEOCHEM 234, 147-171, 1991
2411991
MOLCAS version 3
K Andersson, MRA Blomberg, MP Fülscher, V Kellö, R Lindh, ...
University of Lund, Sweden, 1994
1841994
Electron correlation in molecules
M Urban, I Černušák, V Kellö, J Noga
Methods in Computational Chemistry: Volume 1 Electron Correlation in Atoms …, 1987
1761987
Molcas
K Andersson, MRA Blomberg, MP Fülscher, G Karlström, R Lindh, ...
Lund University, Sweden, 1997
1631997
Ionization potentials and electron affinities of Cu, Ag, and Au: Electron correlation and relativistic effects
P Neogrády, V Kellö, M Urban, AJ Sadlej
International journal of quantum chemistry 63 (2), 557-565, 1997
1331997
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
1032005
Relativistic coupled-cluster static dipole polarizabilities of the alkali metals from Li to element 119
IS Lim, M Pernpointner, M Seth, JK Laerdahl, P Schwerdtfeger, ...
Physical Review A 60 (4), 2822, 1999
1031999
Weak intermolecular interaction: IV. An application of the function counterpoise method to the calculation of the interaction energy and its components
M Urban, P Hobza
Theoretica chimica acta 36, 215-220, 1975
1011975
The fourth order diagrammatic MB‐RSPT calculations of the correlation energy of ten electron systems
M Urban, I Hubac̆, V Kellö, J Noga
The Journal of Chemical Physics 72 (5), 3378-3385, 1980
1001980
Relativistic effects in atomic and molecular properties
M Iliaš, V Kellö, M Urban
Acta Phys. Slovaca 60 (3), 259-391, 2010
962010
Methods in computational chemistry
M Urban, I Cernusak, V Kellö, J Noga
Methods in computational chemistry. Electron correlation in atoms and …, 1987
921987
Spin adapted restricted Hartree–Fock reference coupled cluster theory for open shell systems
P Neogrády, M Urban, I Hubac̆
The Journal of chemical physics 100 (5), 3706-3716, 1994
901994
Optimized virtual orbitals for correlated calculations: an alternative approach
P Neogrády, M PitoňáK, M Urban*
Molecular Physics 103 (15-16), 2141-2157, 2005
812005
On expectation value calculations of one-electron properties using the coupled cluster wave functions
J Noga, M Urban
Theoretica chimica acta 73, 291-306, 1988
771988
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–20