Key points are not available for this paper at this time.
A plane-wave based algorithm is presented for the efficient evaluation of exact (Hartree–Fock) exchange. The theory and numerical results show that the method scales linearly with the number of plane waves. A new, in principle exact, procedure is also defined for the construction of the exchange potential within a Vanderbilt pseudopotential (PP) scheme. The present plane-wave+PP approach can be used in ab initio molecular dynamics (AIMD) algorithms employing exact exchange, thus significantly extending the range of AIMD methodology.
Chawla et al. (Sun,) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: