Publications of Andreas Hansen

Riplinger, C.; Sandhoefer, B.; Hansen, A.; Neese, F. Natural Triple Excitations in Local Coupled Cluster Calculations with Pair Natural Orbitals. The Journal of Chemical Physics 2013, 139, 134101.

Ye, S.; Riplinger, C.; Hansen, A.; Krebs, C.; Bollinger Jr., J. M.; Neese, F. Electronic Structure Analysis of the Oxygen‐Activation Mechanism by Fe^II‐ and α‐Ketoglutarate (ΑKG)‐Dependent Dioxygenases. Chemistry – A European Journal 2012, 18, 6555–6567.

Huntington, L. M. J.; Hansen, A.; Neese, F.; Nooijen, M. Accurate Thermochemistry from a Parameterized Coupled-Cluster Singles and Doubles Model and a Local Pair Natural Orbital Based Implementation for Applications to Larger Systems. The Journal of Chemical Physics 2012, 136, 064101.

Izsák, R.; Hansen, A.; Neese, F. The Resolution of Identity and Chain of Spheres Approximations for the LPNO-CCSD Singles Fock Term. Molecular Physics 2012, 110, 2413–2417.

Hansen, A.; Liakos, D. G.; Neese, F. Efficient and Accurate Local Single Reference Correlation Methods for High-Spin Open-Shell Molecules Using Pair Natural Orbitals. The Journal of Chemical Physics 2011, 135, 214102.