Miroslav Urban
Born Jun 6, 1942 in Martin, Slovakia.
Professor of Theoretical and Computational Chemistry, Faculty of Natural Sciences, Comenius University, Bratislava, Slovakia.
Email:urban@fns.uniba.sk
WWW: external link
Member of the WATOC Scientific Board (2000–); Fellow of the Slovak Academic Society (1998–); Fellow of the Learned society of the Slovak Academy of Sciences (2008–).
Author of:
More than 105 scientific papers published in journals of chemistry and physics and several book chapters.
"Ab Initio Calculations. Methods and Applications in Chemistry", (with P. Čársky), Lecture Notes in Chemistry 16, Springer-Verlag, 1980; Czech edition, 1985. "Correlation effects in molecules" (with I. Černušák, V. Kellö, and J. Noga) in Methods in Computational Chemistry, Vol. 1, Electron Correlation in Atoms and Molecules, ed. S.Wilson, Plenum Press, New York, 1987, pp. 117–250.
Important Contributions:
- Many-body perturbation theory and coupled cluster methods. Contributions (with R. Bartlett and J. Noga) to the development of iterative CCSDT-n and noniterative approximations for triple excitations (including the CCSD+T(CCSD) model, a forerunner of CCSD(T). Contributions to the spin-adapted open-shell CCSD(T) method with the ROHF reference (with P. Neogrády and I. Hubač).
- Efficient CC computer codes (presently a part of MOLCAS, University of Lund) were created in his group (with important contributions of P. Neogrády). Recent developments are based on reformulations of the OVOS approach (Optimized Virtual Orbital Space) aimed at reducing the computational demands in CC calculations.
- Applications to accurate calculations of, e.g., electric properties, electron affinities, reaction and interaction energies, vibrational frequencies, etc.
- Relativistic and electron correlation effects in molecular properties and intermolecular interactions (with A. Sadlej and V. Kellö).