An interesting property of the Perdew–Wang 91 density functional[J] . J. Langlet,J. Bergès,P. Reinhardt.Chemical Physics Letters . 2004 (1)Langlet J, Berge`s J, Reinhardt P (2004) An interesting property of the Perdew-Wang 91 density functional. Chem Phys Lett 396:10- 15. doi:...
From a multitude of different functionals we obtain for hydrogen-bonded model systems a close numerical coincidence between the Pauli repulsion using the Perdew–Wang 91 functional and the correlated SAPT van der Waals terms (exchange repulsion and dispersion)....