5 papers
Enhancements to the GW space-time method
L. Steinbeck, A. Rubio, L. Reining +3
We describe the following new features which significantly enhance the power of the recently developed real-space imaginary-time GW scheme (Rieger et al., Comp. Phys. Commun. 117,…
The GW space-time method for the self-energy of large systems
M. M. Rieger, L. Steinbeck, I. D. White +2
We present a detailed account of the GW space-time method. The method increases the size of systems whose electronic structure can be studied with a computational implementation of…
Dynamic image potential at an Al(111) surface
I. D. White, R. W. Godby, M. M. Rieger +1
We evaluate the electronic self-energy Sigma(E) at an Al(111) surface using the GW space-time method. This self-energy automatically includes the image potential V_{im} not present…
Density-relaxation part of the self energy
R. W. Godby, I. D. White
A comment is made on the large-cluster limit of the self-energy correction for the quasiparticle energy gap in silicon clusters presented by Serdar Ogut, James R. Chelikowsky and S…
Supercell technique for total-energy calculations of finite charged and polar systems
M. R. Jarvis, I. D. White, R. W. Godby +1
We study the behaviour of total-energy supercell calculations for dipolar molecules and charged clusters. Using a cutoff Coulomb interaction within the framework of a plane-wave ba…