19 citations · 38 across the 11 of their papers we have counts for
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cond-mat.other2010
A Parallel Iterative Method for Computing Molecular Absorption Spectra
Peter Koval, Dietrich Foerster, Olivier Coulaud
We describe a fast parallel iterative method for computing molecular absorption spectra within TDDFT linear response and using the LCAO method. We use a local basis of "dominant pr…
cond-mat.other2009★ 8 cited
Fast construction of the Kohn--Sham response function for molecules
Peter Koval, Dietrich Foerster, Olivier Coulaud
The use of the LCAO (Linear Combination of Atomic Orbitals) method for excited states involves products of orbitals that are known to be linearly dependent. We identify a basis in…