Séminaires

8 pages

2019

Ab initio-assisted analysis of paramagnetic NMR: theory and applications

Assessment of correlation-exchange functionals to calculate dispersion coefficients.

Embedded many-body GW and Bethe-Salpeter formalisms for organic systems

Modern interdisciplinary software for electronic structure theory

Multireference Ground and Excited States using Multiple Hartree-Fock Solutions

RASCI-PDFT study of intramolecular charge transfer and local excitation in organic fluorescent photoredox catalysts