prof. RNDr. Miroslav Urban, DrSc.

chemist
Year of birth: 
1942
member emeritus
Year of joining: 
2008
Affiliation: 

Katedra fyzikálnej a teoretickej chémie Prír.Fak.UK

Phone: 
+421(0)2 60296417
Research interests: 
theoretical and computer quantum chemistry
Top results: 

Teoretická a počítačová chémia, rozvoj metód a počítačových programov kvantovej chémie. Zaviedol ab initio metódy kvantovej chémie v Československu, vrátane počítačového programu Comenius. Prispel k rozvoju metódy spriahnutých klastrov (CC) pre molekuly s uzavretou aj otvorenou elektrónovou štruktúrou.

1. -P. Čársky, M. Urban: Ab initio calculations. Methods and applications in chemistry. Lecture Notes in Chemistry, Vol. 16. Springer Verlag, Berlin, 1980. VI+247 str.
2. -M. Urban, I. Černušák, V. Kellö, J. Noga: Electron correlation in molecules. In Methods in Computational Chemistry, Vol. I.: Electron Correlation in Atoms and Molecules. Ed. S. Wilson, Plenum Press, New York 1987, str. 117-250.
3. -M. Urban, P. Neogrády, l. Hubač: Spin adaptation in the open shell coupled cluster theory with a single determinant restricted Hartree Fock Reference. In Recent Advances in Coupled Cluste Methods Ed. R.J. Bartlett, Worl Scientific, Singapore, 1997, str. 275-306.
4. - M. Urban, M. Pitoňák, P. Neogrády, Optimized virtual orbital space (OVOS) as a tool for more efficient correlated and relativistic calculations of molecular properties and interactions. Lecture Series on Computer and Computational Science, Vol. 6, Trends and Perspectives in Modern Computational Science, pp 265-285, G. Maroulis and T. Simos, Eds., Brill Academic Publishers, Leiden. 2006.
5. - České prepracované vydanie Ab initio výpočty v chemii. SNTL Praha, 1985.