Publikationen

Huntington, L. M. J.; Krupička, M.; Neese, F.; Izsák, R. Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems. The Journal of Chemical Physics 2017, 147, 174104.

Dutta, A. K.; Neese, F.; Izsák, R. A simple scheme for calculating approximate transition moments within the equation of motion expectation value formalism. The Journal of Chemical Physics 2017, 146, 214111.

Dutta, A. K.; Nooijen, M.; Neese, F.; Izsák, R. Automatic active space selection for the similarity transformed equations of motion coupled cluster method. The Journal of Chemical Physics 2017, 146, 074103.