E. Goll, H.-J. Werner and H. Stoll
A short-range gradient-corrected density functional in long-range coupled-cluster calculations for rare gas dimers
Phys. Chem. Chem. Phys. 7, 3917 (2005)

M. F. Rode and H.-J. Werner
Ab initio study of the O₂ binding in dicopper complexes
Theor. Chem. Acc. 114, 309 (2005)

T. Hrenar, H.-J. Werner and G. Rauhut
Towards accurate ab initio calculations on the vibrational modes of the alkaline earth metal hydrides
Phys. Chem. Chem. Phys. 7, 3123 (2005)

R. Bobbenkamp, A. Paladini, A. Russo, H. J. Loesch, M. Menéndez, E. Verdasco, F. J. Aoiz and H.-J. Werner
Effect of rotational energy on the reaction Li+HF (v=0,j) → LiF+H: An experimental and computational study
J. Chem. Phys. 122, 244304 (2005)

S. Riedel, P. Pyykkö, R. A. Mata and H.-J. Werner
Comparative calculations for the A-frame molecules [S(MPH₃)₂] (M = Cu, Ag, Au) at levels up to CCSD(T)
Chem. Phys. Lett. 405, 148 (2005)

H. Stoll, B. Paulus and P. Fulde
On the accuracy of correlation-energy expansions in terms of local increments
J. Chem. Phys. 123, 144108 (2005)

I. S. Lim, P. Schwerdtfeger, T. Söhnel and H. Stoll
Ground-state properties and static dipole polarizabilities of the alkali dimers from K₂ⁿ to Fr₂ⁿ (n=0,+1) from scalar relativistic pseudopotential coupled cluster and density functional studies
J. Chem. Phys. 122, 134307 (2005)

I. S. Lim, P. Schwerdtfeger, B. Metz and H. Stoll
All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119
J. Chem. Phys. 122, 104103 (2005)

D. Figgen, G. Rauhut, M. Dolg and H. Stoll
Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac-Hartree-Fock data
Chem. Phys. 311, 227 (2005)

K. Pflüger, M. Paulus, S. Jagiella, T. Burkert and G. Rauhut
Multi-level vibrational SCF calculations and FTIR measurements on furazan
Theor. Chem. Acc. 114, 327 (2005)

S. Schweiger and G. Rauhut
Double proton transfer reactions at the transition from a concerted to a stepwise mechanism: a comparative ab initio study
Phys. Chem. Chem. Phys. 7, 493 (2005)

G. Rauhut and S. Schweiger
Potential Energy Surfaces of Unusual Double Proton Transfer Reactions
in High Performance Computing in Science and Engineering '04, E. Krause, W. Jäger, M. Resch (Eds.), Springer, Heidelberg, 2005, p. 323