41 citations · 80 across the 3 of their papers we have counts for
2 papers
physics.chem-ph2016★ 41 cited
Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods
Sebastian Mai, Thomas Müller, Felix Plasser +3
An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the CO…
physics.chem-ph2016★ 39 cited
The DNA Nucleobase Thymine in Motion - Intersystem Crossing Simulated with Surface Hopping
Sebastian Mai, Martin Richter, Philipp Marquetand +1
We report ab initio excited-state dynamics simulations on isolated thymine to investigate the mechanism of intersystem crossing, based on CASSCF potential energy surfaces and the \…