With advances in ultrafast spectroscopy come the need to create methodologies to describe phenomena that occur in the relevant attosecond time scale. Quantum effects play a significant role in this regime, and full dynamic modelling of high harmonics and spin trapping can be important. Time-dependent configuration interaction provides a suitable approach to address quantum effects, with a natural multireference framework and proper representation of spin, while efficient and conducive to parallel scaling. Our recent advances in the implementation and use of spin-orbit time-dependent configuration interaction (TD-SOCI) are highlighted.

Quantum electron dynamics in ultrafast laser fields

Where thousands of chemistry professionals meet to share ideas and advance scientific and technical knowledge. Spring 2023 abstracts, posters, and presentations will launch at the end of March.

ACS Spring 2023

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.