Timo Fleig

The generalized active space concept for the relativistic treatment of electron correlation. I. Kramers-restricted two-component configuration interaction

Timo Fleig, Jeppe Olsen, Christel M. Marian · The Journal of Chemical Physics · 2001 · 178 citations

Engineering, Many-body Quantum Physic, Spin Systems +21

The generalized active space concept for the relativistic treatment of electron correlation. II. Large-scale configuration interaction implementation based on relativistic 2- and 4-spinors and its application

Timo Fleig, Jeppe Olsen, Lucas Visscher · The Journal of Chemical Physics · 2003 · 164 citations · Full text

Engineering, Nuclear Physics, Spin Systems +23

The generalized active space concept for the relativistic treatment of electron correlation. III. Large-scale configuration interaction and multiconfiguration self-consistent-field four-component methods with application to UO2

Timo Fleig, Hans Jørgen Aa. Jensen, Jeppe Olsen et al. · The Journal of Chemical Physics · 2006 · 139 citations · Full text

Engineering, Computational Chemistry, Large-scale Configuration Interaction +17

Quantum-Chemical Investigation of the Structures and Electronic Spectra of the Nucleic Acid Bases at the Coupled Cluster CC2 Level

Timo Fleig, Stefan Knecht, Christof Hättig · The Journal of Physical Chemistry A · 2007 · 112 citations

Intersystem Crossing and Characterization of Dark States in the Pyrimidine Nucleobases Uracil, Thymine, and 1-Methylthymine

Mihajlo Etinski, Timo Fleig, Christel M. Marian · The Journal of Physical Chemistry A · 2009 · 110 citations