H.-J. Werner, M. Kallay, and J. Gauss
The barrier height of the F + H₂ reaction revisited: Coupled-cluster and multireference configuration-interaction benchmark calculations
J. Chem. Phys. 128, 034305 (2008)

R. A. Mata, H.-J. Werner, S. Thiel, and W. Thiel
Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase
J. Chem. Phys. 128, 025104 (2008)

F. Lique, M. H. Alexander, G. Li, H.-J. Werner, S. A. Nizkorodov, W. W. Harper, and D. J. Nesbitt
Evidence for excited spin-orbit state reaction dynamics in F + H₂: Theory and experiment
J. Chem. Phys. 128, 084313 (2008)

K. A. Peterson, T. B. Adler, and H.-J. Werner
Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B-Ne, and Al-Ar
J. Chem. Phys. 128, 084102 (2008)

R. A. Mata, H.-J. Werner, and M. Schütz
Correlation regions within a localized molecular orbital approach
J. Chem. Phys. 128, 144106 (2008)

J. Kaminsky, R. A. Mata, H.-J. Werner, and F. Jensen
The accuracy of local MP2 methods for conformational energies
Mol. Phys. 106, 1899 (2008)

G. Knizia, and H.-J. Werner
Explicitly correlated RMP2 for high-spin open-shell reference states
J. Chem. Phys. 128, 154103 (2008)

E. Goll, T. Leininger, F. R. Manby, A. Mitrushchenkov, H.-J. Werner, and H. Stoll
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Phys. Chem. Chem. Phys. 10, 3353 (2008)

E. Goll, H.-J. Werner, and H. Stoll
Short-range density functionals in combination with local long-range ab initio methods: Application to non-bonded complexes
Chem. Phys. 346, 257 (2008)

X. Wang, W. Dong, C. Xiao, L. Che, Z. Ren, D. Dai, X. Wang, P. Casavecchia, X. Yang, B. Jiang, D. Xie, Z. Sun, S.-Y. Lee, D. H. Zhang, H.-J. Werner, and M. H. Alexander
The extent of non-Born-Oppenheimer coupling in the reaction of Cl(²P) with para-H₂
SCIENCE 24, 573 (2008)

O. Marchetti, and H.-J. Werner
Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions
Phys. Chem. Chem. Phys. 10, 3400 (2008)

H.-J. Werner
Eliminating the domain error in local explicitly correlated second-order Møller-Plesset perturbation theory
J. Chem. Phys. 129, 101103 (2008)

D. Figgen, A. Wedig, H. Stoll, M. Dolg, E. Eliav and U. Kaldor
On the performance of two-component energy-consistent pseudopotentials in atomic Fock-space coupled cluster calculations
J. Chem. Phys. 128, 024106 (2008)

D. Figgen, K.A. Peterson and H. Stoll
Energy-consistent relativistic pseudopotentials for the 4d elements: Atomic and molecular applications
J. Chem. Phys. 128, 034110 (2008)

R.A. Mata and H. Stoll
Incremental expansions for SCF interaction energies: A comparison for hydrogen-bonded clusters
Chem. Phys. Lett. 465, 136 (2008)

E. Voloshina, B. Paulus and H. Stoll
Quantum-Chemical Approach to Cohesive Properties of Metallic Beryllium
J. Phys. Conf. Series 117, 012029 (2008)

G. Rauhut and T. Hrenar
A combined variational and perturbational study on the vibrational spectrum of P₂F₄
Chem. Phys. 346, 160 (2008)

L. von Szentpaly
Atom-Based Thermochemistry: Crystal Atomization and Sublimation Enthalpies in Linear Relationships to Molecular Atomization Enthalpy
J. Am. Chem. Soc. 130, 5962 (2008)

L. von Szentpaly
Atom-Based Thermochemistry: Predictions of the Sublimation Enthalpies of Group 12 Chalcogenides and the Formation Enthalpies of their Polonides
J. Phys. Chem. A 112, 12695 (2008)