Prof. Dr. Michael Dolg

A short description taken from the Chemistry Department homepage

List of Publications (until May 2013) (pdf, ps)  

A recent publication (accepted, in press) (pdf)  

A recent review article on ECPs (Relativistic pseudopotentials: their development and scope of applications. M. Dolg, X. Cao, Chem. Rev. (ASAP); published online September 13, 2011; DOI: 10.1021/cr2001383) (50 free downloads available as long as supply lasts))  

Pseudopotential and (valence) basis set libraries

DKH2-adapted segmented contracted AE basis sets for lanthanides (La - Lu) (download)

Stuttgart-Cologne energy-consistent pseudopotentials for quantum chemical calculations (Cologne server) (parameters from a clickable periodic system)

Stuttgart-Cologne energy-consistent pseudopotentials for quantum chemical calculations (Stuttgart server) (parameters from a clickable periodic system)

Cologne energy-consistent pseudopotentials for Quantum Monte Carlo calculations (parameters from a clickable periodic system)

Research Interests

• Relativistic quantum chemistry, e.g., energy-consistent ab initio pseudopotentials, lanthanides and actinides, ... (more)

• Quantum chemical methods for periodic systems, e.g., wavefunction-based correlation treatment of solids (more)

• New quantum chemical approaches, e.g., Hartree-Fock-Wigner theory (more)

Recent Selected Publications

• On Actinides

  pdf cf. also X. Cao, M. Dolg, Coord. Chem. Rev. 250 (2006) 900 - 912.
  pdf cf. also A. Moritz, X. Cao, M. Dolg, Theor. Chem. Acc. 117 (2007) 473 - 481.
  pdf cf. also J. Wiebke, A. Moritz, X. Cao, M. Dolg, Phys. Chem. Chem. Phys. 9 (2007) 459 - 465.

• On Pseudopotentials

  pdf cf. also M. Dolg, Theor. Chem. Acc. 114 (2005) 297 - 304.
  pdf cf. also M. Burkatzki, C. Fillippi, M. Dolg, J. Chem. Phys. 126 (2007) 6094 - 6102.

• On Solids

  pdf cf. also A. Basu Mukhopadhyay, M. Dolg, C. Oligschleger, J. Chem. Phys. 120 (2004) 8734 - 8739.
  pdf cf. also J. Yang, M. Dolg, Phys. Chem. Chem. Phys. 9 (2007) 2094 - 2102.

• On the Incremental Scheme

  pdf cf. also J. Friedrich, M. Hanrath, M. Dolg, J. Chem. Phys. 126 (2007) 154110-1 - 154110-7.

• On Hartree-Fock-Wigner Model

  pdf cf. also R. Fondermann, M. Hanrath, M. Dolg, Theor. Chem. Acc. 118 (2007) 777 - 783.

• On Organometallic Chemistry

  pdf cf. also S. Ketrat, S. Müller, M. Dolg, J. Phys. Chem. A 111 (2007) 6094 - 6102.

Projects

• SFB 624 (Template  - Vom Design chemischer Schablonen zur Reaktionssteuerung) (running since 2003)

• SFB 408 (Anorganische Festkörper ohne Translationssymmetrie) (ended in 2005)

• GK 549 (Azentrische Kristalle) (ended in 2006)

• SPP 1145 (Modern and universal first-principles methods for many-electron systems in chemistry and physics) (running since 2003)

• Development of Actinide Pseudopotentials (DFG project) (started 2007)

• Incremental scheme for explicitly correlated wavefunctions (DFG project) (started 2009)

Collaborations

• Prof. Dr. Hermann Stoll, University of Stuttgart

• Prof. Dr. Kirk Peterson, Washington State University and Pacific Northwest National Laboratories (USA)

• Prof. Dr. Peter Schwerdtfeger, Massey University (New Zealand)

• Prof. Dr. Karl-Heinz Dötz, University of Bonn (Germany)

• Prof. Dr. Andreas Gansäuer, University of Bonn (Germany)

• ... and many others as well as the ...

• Cologne Theoretical Chemistry Research Group

Teaching

• The Chemistry department of the University of Cologne switches from the Diploma to a Bachelor/Master model of studies starting from WS 2007/8. Theoretical Chemistry will be offered in a two-semester compulsory course at the Bachelor level, a one-semester volontary course at the advanced Bachelor and Master level as well as by one additional advanced module (including lecture, seminar and practical exercises) at the Master level. Lectures will be given by Xiaoyan Cao, Michael Hanrath and Michael Dolg. Further information is provided on the homepage of the Cologne Chemistry Department

• Lecture Theoretical Chemistry I / Exercises

• Lecture Theoretical Chemistry II / Exercises

• Seminar Theoretical Chemistry

• Seminar Advanced Topics in Theoretical Chemistry

Financial Support                                          

• German Science Foundation (Deutsche Forschungsgemeinschaft, DFG)

• German Academic Exchange Service (Deutscher Akademischer Austauschdienst, DAAD)

History

• CV

• Some old group pictures from Dresden (1,2,3) and Bonn (4), some newer ones from Cologne (5,6,7)

• For more information about my dark past, you may visit my old homepages in Dresden and Bonn !

Other activities

• Swimming

• Noise