« first day (324 days earlier)      last day (1083 days later) » 

9:20 PM
4
Q: What quantity to perform CBS extrapolation on for adsorption/binding energies?

benshi97When calculating complete basis set extrapolations for quantities, such as adsorption energies or binding energies, which depend on the difference between three quantities (i.e. $E_\textrm{prop} = E_\textrm{AB} - E_\textrm{A} - E_\textrm{B}$), should the extrapolation be performed on $E_\textrm{p...

 

« first day (324 days earlier)      last day (1083 days later) »