Publicaciones en colaboración con investigadoras/es de Instituto de Química Avanzada de Cataluña (2)

2024

  1. APOST-3D: Chemical concepts from wavefunction analysis

    Journal of Chemical Physics, Vol. 160, Núm. 17

  2. Spurious Oscillations Caused by Density Functional Approximations: Who is to Blame? Exchange or Correlation?

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 8, pp. 3144-3153