A GW approach that gives accurate charging energies for very large molecules and clusters
(thousands of electrons and more, scaling linearly with system size due to the use of stochastic algorithms)
[PDF]
A linear-scaling embedded-fragment stochastic approach to the densities and energies
of large molecules (thousands of electrons or more). The method is non-approximate,
and its new, embedded-fragment version uses very few stochastic orbitals
(tens to few hundred orbitals regarless of system size)
since the stochastic averaging only needs to model the small difference between the
true (unbknown) density and the sum of fragment densities.
[PDF]
