Publications

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.