59 citations · 246 across the 15 of their papers we have counts for
4 papers · 2 filters
Implementation of the full CCSDT electronic structure model with tensor decompositions
Michał Lesiuk
We report a complete implementation of the coupled-cluster method with single, double, and triple excitations (CCSDT) where tensor decompositions are used to reduce its scaling and…
A straightforward a posteriori method for reduction of density-fitting error in coupled-cluster calculations
Michał Lesiuk
We present a simple method for \emph{a posteriori} removal of a significant fraction of the density-fitting error from the calculated total coupled-cluster energies. The method tre…
Theoretical description of the ionization processes with a discrete basis set representation of the electronic continuum
Mateusz S. Szczygieł, Michał Lesiuk, Robert Moszynski
In this work we present a new method of approximating the continuum wavefunctions with a discrete basis set. This method aims to be at least compatible with other well known method…
Complete basis set extrapolation of electronic correlation energies using the Riemann zeta function
Michał Lesiuk, Bogumił Jeziorski
In this communication we present a method of complete basis set (CBS) extrapolation of correlation energies obtained with a systematic sequence of one-electron basis sets. Instead…