117 citations · 160 across the 4 of their papers we have counts for
6 papers
On the chemical potential of many-body perturbation theory in extended systems
Felix Hummel
Many methods for computing electronic correlation effects at finite temperature are related to many-body perturbation theory in the grand-canonical ensemble. In most applications,…
Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions
Evgeny Moerman, Felix Hummel, Andreas Grüneis +2
Coupled cluster (CC) theory is often considered the gold standard of quantum-chemistry. For solids, however, the available software is scarce. We present CC-aims, which can interfa…
A periodic equation-of-motion coupled-cluster implementation applied to -centers in alkaline earth oxides
Alejandro Gallo, Felix Hummel, Andreas Irmler +1
We present an implementation of equation of motion coupled-cluster singles and doubles (EOM-CCSD) theory using periodic boundary conditions and a plane wave basis set. Our implemen…
Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit
Thomas Gruber, Ke Liao, Theodoros Tsatsoulis +2
Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with exper…
On the duality of ring and ladder diagrams and its importance for many-electron perturbation theories
Andreas Irmler, Felix Hummel, Andreas Grüneis
We present a diagrammatic decomposition of the transition pair correlation function for the uniform electron gas. We demonstrate explicitly that ring and ladder diagrams are dual c…
Finite temperature coupled cluster theories for extended systems
Felix Hummel
At zero temperature coupled cluster theory is widely used to predict total energies, ground state expectation values and even excited states for molecules and extended systems. Gen…