Analytical energy gradients for open-shell local second-order Møller-Plesset perturbation theory and applications to large molecules

Werner, Hans-Joachim (Prof. Dr.)Dornbach, Mark2018-09-032018-09-032018510644384http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-100241http://elib.uni-stuttgart.de/handle/11682/10024http://dx.doi.org/10.18419/opus-10007eninfo:eu-repo/semantics/openAccess530540Analytical energy gradients for open-shell local second-order Møller-Plesset perturbation theory and applications to large moleculesdoctoralThesis