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 Physics2017, 147, 174104.
Krupička, M.; Sivalingam, K.; Huntington, L.; Auer, A. A.; Neese, F. A Toolchain for the Automatic Generation of Computer Codes for Correlated Wavefunction Calculations. Journal of Computational Chemistry2017, 38, 1853–1868.
Shalini Yadav, a postdoctoral researcher at the Max-Planck-Institut für Kohlenforschung, has received the Alexander von Humboldt Fellowship to advance her computational chemistry research on enzymes.