2 papers
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…
physics.chem-ph2026
Orbital-Optimized Quasi-Variational Distinguishable Cluster Doubles Method
Fangcheng Wu, Daniel Kats
We present the orbital-optimized quasi-variational distinguishable cluster doubles (OQVDCD) method, obtained by applying the distinguishable cluster (DC) approximation to orbital-o…