Articles with public access mandates - Timo FleigLearn more
Available somewhere: 16
The DIRAC code for relativistic molecular calculations
T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ...
The Journal of chemical physics 152 (20), 2020
Mandates: German Research Foundation, Villum Foundation, Netherlands Organisation for …
The generalized active space concept for the relativistic treatment of electron correlation. III. Large-scale configuration interaction and multiconfiguration self-consistent …
T Fleig, HJA Jensen, J Olsen, L Visscher
The Journal of chemical physics 124 (10), 2006
Mandates: German Research Foundation
Intersystem crossing and characterization of dark states in the pyrimidine nucleobases uracil, thymine, and 1-methylthymine
M Etinski, T Fleig, CM Marian
The Journal of Physical Chemistry A 113 (43), 11809-11816, 2009
Mandates: German Research Foundation
Large-scale parallel configuration interaction. II. Two-and four-component double-group general active space implementation with application to BiH
S Knecht, HJA Jensen, T Fleig
The Journal of chemical physics 132 (1), 2010
Mandates: German Research Foundation
A direct relativistic four-component multiconfiguration self-consistent-field method for molecules
J Thyssen, T Fleig, HJA Jensen
The Journal of chemical physics 129 (3), 2008
Mandates: German Research Foundation
A relativistic 4-component general-order multi-reference coupled cluster method: initial implementation and application to HBr
T Fleig, LK Sørensen, J Olsen
Theoretical Chemistry Accounts 118, 347-356, 2007
Mandates: German Research Foundation
Four-component relativistic coupled cluster and configuration interaction calculations on the ground and excited states of the RbYb molecule
LK Sørensen, S Knecht, T Fleig, CM Marian
The Journal of Physical Chemistry A 113 (45), 12607-12614, 2009
Mandates: German Research Foundation
Model-independent determinations of the electron EDM and the role of diamagnetic atoms
T Fleig, M Jung
Journal of High Energy Physics 2018 (7), 1-18, 2018
Mandates: German Research Foundation
Electronic and vibrational spectroscopy of 1‐methylthymine and its water clusters: the dark state survives hydration
M Busker, M Nispel, T Häber, K Kleinermanns, M Etinski, T Fleig
ChemPhysChem 9 (11), 1570-1577, 2008
Mandates: German Research Foundation
Theoretical Investigation of the Excited States of 2‐Nitrobenzyl and 4,5‐Methylendioxy‐2‐nitrobenzyl Caging Groups†
K Schaper, M Etinski, T Fleig
Photochemistry and photobiology 85 (5), 1075-1081, 2009
Mandates: German Research Foundation
Two-and four-component relativistic generalized-active-space coupled cluster method: Implementation and application to BiH
LK Sørensen, J Olsen, T Fleig
The Journal of chemical physics 134 (21), 2011
Mandates: German Research Foundation
Accurate calculations of the ground state and low-lying excited states of the (RbBa)+ molecular ion: a proposed system for ultracold reactive collisions
S Knecht, LK Sørensen, HJA Jensen, T Fleig, CM Marian
Journal of Physics B: Atomic, Molecular and Optical Physics 43 (5), 055101, 2010
Mandates: German Research Foundation
Spectroscopic and electric properties of the LiCs molecule: a coupled cluster study including higher excitations
LK Sørensen, T Fleig, J Olsen
Journal of Physics B: Atomic, Molecular and Optical Physics 42 (16), 165102, 2009
Mandates: German Research Foundation
-odd interactions in atomic and phenomenological applications
T Fleig, M Jung
Physical Review A 103 (1), 012807, 2021
Mandates: German Research Foundation, Government of Italy
Time-reversal symmetry in general coupled cluster theory
T Fleig
Physical Review A—Atomic, Molecular, and Optical Physics 77 (6), 062503, 2008
Mandates: German Research Foundation
A relativistic 4-component multi-reference coupled cluster method. Application to the CsLi molecule
LK Sørensen, T Fleig
NIC Publications of the John von Neumann Institute of Computing 32, 91-98, 2006
Mandates: German Research Foundation
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