Time: THU, OCT 28, 2021 10:00 AM - 11:00 AM PDT Register here: https://attendee.gotowebinar.com/register/4681647261821240075 Abstract Applying hydrostatic pressure to molecules in, e.g., diamond anvil cells leads to a number of remarkable effects, including the possible initiation of chemical reactions. Q-Chem features several methods for geometry optimizations and ab initio Mol…

Hi all I was playing around with FSSH on ethylene and set the number of allowed surfaces to be 20 (singlets). At the end of each time step there is a “Hopping probability” value, which is self explanatory. What I am wondering is: Is that value the total probability to hop to any allowed state? Is there any way I can look at the hopping probability to each individual allowed state…