Improved methods for electronic excitation energies

The results of our collaboration with Tobias Schwabe from the University of Hamburg, Germany, have been published. We present improved versions of time-dependent double-hybrid density functionals for the calculation of electronic excitation energies. These methods belong to the best time-dependent density functional theory methods and can compete with more resource-demanding wave-function theories. For more details see: Schwabe, L. Goerigk, “Time-dependent double-hybrid density functionals with spin-component and spin-opposite scaling“, Journal of Chemical Theory and Computation 2017, DOI: 10.1021/acs.jctc.7b00386