43 citations · 43 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2020★ 43 cited
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…
cond-mat.mtrl-sci2019
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…
physics.chem-ph2019
Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory
Andreas Irmler, Andreas Grüneis
We investigate the basis-set convergence of electronic correlation energies calculated using coupled cluster theory and a recently proposed finite basis-set correction technique. T…