• Exchange energies with forces in density-functional theory 

      Tancogne-Dejean, Nicolas; Penz, Markus; Laestadius, Andre; Csirik, Mihaly Andras; Ruggenthaler, Michael; Rubio, Angel (Peer reviewed; Journal article, 2024)
      We propose exchanging the energy functionals in ground-state density-functional theory with physically equivalent exact force expressions as a new promising route toward approximations to the exchange–correlation potential ...