126 citations · 360 across the 18 of their papers we have counts for
19 papers
Optical response of silver clusters and their hollow shells from Linear-Response TDDFT
Peter Koval, Federico Marchesin, Dietrich Foerster +1
We present a study of the optical response of compact and hollow icosahedral clusters containing up to 868 silver atoms by means of time-dependent density functional theory. We hav…
Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems
Mathias P. Ljungberg, Peter Koval, Francesco Ferrari +2
The Bethe-Salpeter equation (BSE) is currently the state of the art in the description of neutral electron excitations in both solids and large finite systems. It is capable of acc…
Fully self-consistent and quasi-particle self-consistent for molecules
Peter Koval, Dietrich Foerster, Daniel Sánchez-Portal
Two self-consistent schemes involving Hedin's approximation are studied for a set of sixteen different atoms and small molecules. We compare results from the fully self-consis…
An O(N^3) implementation of Hedin's GW approximation
Peter Koval, Dietrich Foerster, Daniel Sanchez-Portal
Organic electronics is a rapidly developing technology. Typically, the molecules involved in organic electronics are made up of hundreds of atoms, prohibiting a theoretical descrip…
An O(N^3) implementation of Hedin's GW approximation for molecules
Dietrich Foerster, Peter Koval, Daniel Sánchez-Portal
We describe an implementation of Hedin's GW approximation for molecules and clusters, the complexity of which scales as O(N^3) with the number of atoms. Our method is guided by two…
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…