Relativistic many-body methods


Recent Publications

General Active Space Commutator-Based Coupled Cluster Theory of General Excitation Rank for Electronically Excited States. Implementation and Application to ScH
Mickael Hubert, Jeppe Olsen, Jessica Loras, and Timo Fleig
J Chem Phys 139 (2013) 194106

Excitation Energies from Relativistic Coupled-Cluster of General Excitation Rank. Initial implementation and application to the Si atom and the molecules XH, X={As, Sb, Bi}
Mickael Hubert, Lasse K. Sørensen, Jeppe Olsen, and Timo Fleig
Phys Rev A 86 (2012) 012503

Two- and Four-Component Relativistic Generalized Active Space Coupled-Cluster Method. Implementation and application to BiH
Lasse K. Sørensen, Jeppe Olsen, and Timo Fleig
J Chem Phys 134 (2011) 214102

Relativistic String-Based Electron Correlation Methods
Timo Fleig
in: Relativistic Methods for Chemists, Barysz, Maria; Ishikawa, Yasuyuki (Eds.)
Series: Challenges and Advances in Computational Chemistry and Physics, Vol. 10 (2010) 407-449

A Relativistic Four- and Two-component Generalized-Active-Space Coupled Cluster Method
Lasse K. Sørensen, Timo Fleig, and Jeppe Olsen
Z Phys Chem 224 (2010) 671-680

Time-reversal symmetry in general coupled cluster theory
Timo Fleig
Phys Rev A 77,6 (2008) 062503

A relativistic general-order multi-reference coupled cluster method:
Timo Fleig, Lasse K. Sørensen, Jeppe Olsen
Theo Chem Acc 118,2 (2007) 347-356

(View full list)

Topic-Related Links