activity
20212026
most citedTowards efficient and accurate \emph{ab initio} solutions to periodic systems via transcorrelation and coupled cluster theory

42 citations · 136 across the 8 of their papers we have counts for

collaborators
Showing 2026Show all

2 papers · 1 filter

physics.chem-ph2026

First application of the transcorrelated method to noncovalent interactions: The A24 dataset

Johannes Hauskrecht, Stephanie Lambie, Evelin Martine Corvid Christlmaier +3

We present the first application of transcorrelated (TC) coupled-cluster (CC) theory to noncovalent interactions within the xTC approximation. The method is assessed for the A24 da…

physics.chem-ph2026

ElemCo.jl: A Julia package for electron-correlation methods

Daniel Kats, Charlotte Rickert, Thomas Schraivogel +3

We present ElemCo.jl, an open-source Julia package for molecular electronic structure and properties calculations with a particular emphasis on Coupled Cluster and Distinguishable…