Prof. Dr. Michael Dolg
Institut für Theoretische Chemie
Universität zu Köln
Greinstr. 4
D-50939 Köln

Tel.   ++49 (0)221-470-6893
Fax. ++49 (0)221-470-6896


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A brief description taken from the Chemistry Department homepage

Research Interests

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

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

Pseudopotential and (valence) basis set libraries

Publications <Computer at work>

List of Publications (until May 2015) (pdf, ps)  

Selected Publications

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))  

  • 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.
    pdf cf. also M. Dolg, Am. Inst. Phys. Conf. Proc. 1504 (2012) 80 - 91.
  • 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.


  • Basics of Relativistic Quantum Chemistry (Textbook, in Chinese)
    Xiaoyan Cao, Weihai Fang, Michael Dolg
    Science Press, China Science Publishing & Media LTD, Beijing (to be published June 2013)

Edited Books




  • General

    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 level as well as by additional advanced modules (including lectures, seminars and practical exercises) at the Master level. Lectures will be given by Xiaoyan Cao (e.g. relativistic quantum chemistry), and Michael Hanrath (e.g. electron correlation methods) at the Master Level, and by Michael Dolg at the Bachelor level. 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                                                                                    <Pleitegeier im Anflug>


  • 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

Last modification on May 28, 2015