171 citations · 1.2k across the 40 of their papers we have counts for
3 papers · 1 filter
Performance of a one-parameter correlation factor for transcorrelation: the Li-Ne total energies and ionization potentials
Werner Dobrautz, Aron J. Cohen, Ali Alavi +1
In this work we investigate the performance of a recently proposed transcorrelated (TC) approach based on a single-parameter correlation factor [JCP, 154, 8, 2021] for systems invo…
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
Yann Garniron, Thomas Applencourt, Kevin Gasperich +16
\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determina…
An efficient implementation of Slater-Condon rules
Anthony Scemama, Emmanuel Giner
Slater-Condon rules are at the heart of any quantum chemistry method as they allow to simplify -dimensional integrals as sums of 3- or 6-dimensional integrals. In this paper, w…