Michael S. Schuurman

Adiabatic Populations for High-Dimensional Quantum Simulations Using Matrix Product State Sampling

Abstract Electronic state populations are central quantities in nonadiabatic dynamics, with different electronic representations conveying different information. The populations of diabatic states, which preserve electronic character, offer chemically intuitive interpretations of...

Structural dynamics during the three-ion Coulomb explosion of highly charged CS2 in intense soft x-ray pulses

Using intense femtosecond soft x-ray pulses above the sulfur 2p edge produced by the Free-electron LASer in Hamburg (FLASH), we investigate the multiple ionization and fragmentation dynamics of CS2. We focus on the three-ion fragmentation pathways of CS2 polycations with total ch...