HIGHLIGHTS
SUMMARY
Pubs.acs.org/journal/apchd5 2. THEORETICAL MODEL ωFQFμ is a fully atomistic, classical approach which substantially extends ωFQ, which assigns to each metal atom a time dependent charge. Under the action of a time dependent external electric field, metal atoms exchange charge via the Drude conduction mechanism, which is further assisted by quantum tunneling, which limits the charge transfer among nearest neighboring atoms and makes the interaction decrease with the typical exponential decay. Such a situation naturally leads to the conclusion that an explicit quantum mechanical treatment of electrons, such as DFT and . . .
If you want to have access to all the content you need to log in!
Thanks :)
If you don't have an account, you can create one here.