Category: Publication

Filip Cernatic, Emmanuel Fromager and coworkers published a new paper, “Neutral electronic excitations and derivative discontinuities: An extended 𝑁-centered ensemble density functional theory perspective”, in Physical Review B

Emmanuel Fromager and coworker published a new paper, “Density functional theory beyond the Born–Oppenheimer approximation: exact mapping onto an electronically non-interacting Kohn–Sham molecule”, in Electronic Structure

Christophe Gourlaouen and coworkers published a new paper, “Site-Selective Radical Aromatic C−H Functionalization of Alloxazine and Flavin through Ground-State Single Electron Transfer”, in Angewandte Chemie

Filip Cernatic and Emmanuel Fromager published a new paper, “Extended N-centered ensemble density functional theory of double electronic excitations”, in Journal of Computational Chemistry