Fractional spin/charge states in quantum chemistry (LCPQ / Zoom Seminar) – 21/10, 14H.
By Stijn De Baerdemacker from University of New Brunswick in Canada (http://www2.unb.ca/~sde6/) Stjin's work lies at the interface of Chemistry, Physics and Mathematics (http://www2.unb.ca/~sde6/publications.html). Abstract: Many of the challenges in popular electronic structure methods for molecules are related to the (de)localization of electrons over the different subsystems in the compounds. We show how incorporating suitable… Read More »Fractional spin/charge states in quantum chemistry (LCPQ / Zoom Seminar) – 21/10, 14H.