Size consistency and counterpoise correction in explicitly correlated calculations of interaction energies and interaction-induced properties
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review A"
DOI: 10.1103/physreva.99.032712
Abstract: Explicitly correlated calculations of interaction energies with wave functions that include all interparticle distances have suffered so far from the lack of size-consistency resulting from the difficulty to define monomer energies corresponding to the applied… read more here.
Keywords: interaction energies; interaction induced; explicitly correlated; interaction ... See more keywords