Reliable prediction of molecular electronic excitation energies

Highly Fluorescent Pyridinium Betaines for Light Harvesting

Jingjing Xu, Bolong Zhang, Marina Jansen, Lars Goerigk, Wallace WH Wong, Chris Ritchie

2017-10-23

Hoch fluoreszierende Pyridiniumbetaine für die Lichtsammlung

Jingjing Xu, Bolong Zhang, Marina Jansen, Lars Goerigk, Wallace WH Wong, Chris Ritchie

2017-10-23

Time-dependent double-hybrid density functionals with spin-component and spin-opposite scaling

Tobias Schwabe, Lars Goerigk

2017-09-12

For the first time, we combine time-dependent double-hybrid density functional approximations (TD-DHDFAs) for the calculation of e..