93 citations · 129 across the 4 of their papers we have counts for
4 papers
Designing active colloidal folders
Shibananda Das, Malte Lange, Angelo Cacciuto
Can active forces be exploited to drive the consistent collapse of an active polymer into a folded structure? In this paper we introduce and perform numerical simulations of a simp…
Improving MP2 band gaps with low-scaling approximations to EOM-CCSD
Malte F. Lange, Timothy C. Berkelbach
Despite its reasonable accuracy for ground-state properties of semiconductors and insulators, second-order Moller-Plesset perturbation theory (MP2) significantly underestimates ban…
Dynamical correlation energy of metals in large basis sets from downfolding and composite approaches
James M. Callahan, Malte F. Lange, Timothy C. Berkelbach
Coupled-cluster theory with single and double excitations (CCSD) is a promising ab initio method for the electronic structure of three-dimensional metals, for which second-order pe…
On The Relation Between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation
Malte F. Lange, Timothy C. Berkelbach
We discuss the analytic and diagrammatic structure of ionization potential (IP) and electron affinity (EA) equation-of-motion coupled-cluster (EOM-CC) theory, in order to put it on…