171 citations · 1.2k across the 40 of their papers we have counts for
5 papers · 1 filter
Diffusion Monte Carlo using domains in configuration space
Roland Assaraf, Emmanuel Giner, Vijay Gopal Chilkuri +3
The sampling of the configuration space in diffusion Monte Carlo (DMC) is done using walkers moving randomly. In a previous work on the Hubbard model [\href{https://doi.org/10.1103…
Extension of selected configuration interaction for transcorrelated methods
Abdallah Ammar, Anthony Scemama, Emmanuel Giner
In this work we present an extension of the popular selected configuration interaction (SCI) algorithms to the Transcorrelated (TC) framework. Although we used in this work the rec…
Optimization of large determinant expansions in quantum Monte Carlo
Abdallah Ammar, Emmanuel Giner, Anthony Scemama
We present a new method for the optimization of large configuration interaction (CI) expansions in the quantum Monte Carlo (QMC) framework. The central idea here is to replace the…
Basis-set correction for coupled-cluster estimation of dipole moments
Diata Traore, Julien Toulouse, Emmanuel Giner
The present work proposes an approach to obtain a basis-set correction based on density-functional theory (DFT) for the computation of molecular properties in wave-function theory…
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…