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 | 1729 | 2010 |
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 | 1041 | 1985 |
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 | 356 | 1987 |
Ab initio calculations: methods and applications in chemistry P Carsky, M Urban Springer Science & Business Media, 2012 | 315 | 2012 |
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 | 279 | 2008 |
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 | 239 | 1991 |
MOLCAS version 3 K Andersson, MRA Blomberg, MP Fülscher, V Kellö, R Lindh, ... University of Lund, Sweden, 1994 | 187 | 1994 |
Electron correlation in molecules M Urban, I Černušák, V Kellö, J Noga Methods in Computational Chemistry: Volume 1 Electron Correlation in Atoms …, 1987 | 176 | 1987 |
Molcas K Andersson, MRA Blomberg, MP Fülscher, V Kellö, R Lindh, ... Lund University, Sweden, 1997 | 161 | 1997 |
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 | 134 | 1997 |
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 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 | 103 | 1999 |
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 | 101 | 1980 |
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 | 99 | 1975 |
Relativistic effects in atomic and molecular properties M Iliaš, V Kellö, M Urban Acta Phys. Slovaca 60 (3), 259-391, 2010 | 94 | 2010 |
Methods in computational chemistry M Urban, I Cernusak, V Kellö, J Noga Methods in computational chemistry. Electron correlation in atoms and …, 1987 | 93 | 1987 |
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 | 90 | 1994 |
Optimized virtual orbitals for correlated calculations: an alternative approach P Neogrády, M PitoňáK, M Urban* Molecular Physics 103 (15-16), 2141-2157, 2005 | 81 | 2005 |
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 | 78 | 1988 |
Accurate electrical and spectroscopic properties ofX 1Σ+ BeO from coupled-cluster methods JD Watts, M Urban, RJ Bartlett Theoretica chimica acta 90, 341-355, 1995 | 77 | 1995 |