activity
20072023
most citedLocalization and delocalization errors in density functional theory and implications for band-gap prediction

1.3k citations · 2.9k across the 14 of their papers we have counts for

collaborators
Showing 2013 · physics.chem-phShow all

1 paper · 2 filters

physics.chem-ph2013★ 28 cited

Dramatic changes in electronic structure revealed by fractionally charged nuclei

Aron J. Cohen, Paula Mori-Sánchez

Discontinuous changes in the electronic structure upon infinitesimal changes to the Hamiltonian are demonstrated. Remarkably, these are revealed in one and two electron molecular s…