Pierre-Francois Loos
@titouloos.bsky.social
CNRS senior research at the Laboratoire de Chimie et Physique Quantiques in Toulouse (France) interested in electronic structure theory & excited states
Mostly for Johannes… He has done all the hard work.
July 4, 2025 at 3:25 PM
Mostly for Johannes… He has done all the hard work.
Potentially, yes.
May 22, 2025 at 8:43 PM
Potentially, yes.
Great question… you might be able to do QMC with a trial wave function that contains a determinant of plane waves with non-Aufbau filling. One would have to be extremely careful in the extrapolation process though as one has to make sure to use the same value of Δ for all finite-electron systems…
May 22, 2025 at 5:44 PM
Great question… you might be able to do QMC with a trial wave function that contains a determinant of plane waves with non-Aufbau filling. One would have to be extremely careful in the extrapolation process though as one has to make sure to use the same value of Δ for all finite-electron systems…
Thank you for coming! ☀️
April 7, 2025 at 1:48 PM
Thank you for coming! ☀️