32 citations · 32 across the 3 of their papers we have counts for
3 papers
Accelerating Analytic-Continuation GW Calculations with a Laplace Transformation and Natural Auxiliary Functions
Johannes Tölle, Niklas Niemeyer, Johannes Neugebauer
We present a simple and accurate GW implementation based on a combination of a Laplace transformation (LT) and other acceleration techniques used in post-SCF quantum chemistry, nam…
Multi-State Formulation of the Frozen-Density Embedding Quasi-Diabatization Approach
Patrick Eschenbach, Denis G. Artiukhin, Johannes Neugebauer
We present a multi-state implementation of the recently developed FDE-diab methodology [J. Chem. Phys., 148 (2018), 214104] in the Serenity program. The new framework extends the o…
Solvation Free Energies in Subsystem Density Functional Theory
Moritz Bensberg, Paul L. Türtscher, Jan P. Unsleber +2
For many chemical processes the accurate description of solvent effects are vitally important. Here, we describe a hybrid ansatz for the explicit quantum mechanical description of…