171 citations · 1.2k across the 40 of their papers we have counts for
4 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…
A new form of transcorrelated Hamiltonian inspired by range-separated DFT
Emmanuel Giner
The present work introduces a new form of explicitly correlated factor in the context of the transcorrelated methods. The new correlation factor is obtained from the r 12 …
Interplay between electronic correlation and metal-ligand delocalization in the spectroscopy of transition metal compounds: case study on a series of planar Cu complexes
Emmanuel Giner, David Tew, Yann Garniron +1
We present a comprehensive theoretical study of the physical phenomena that determine the relative energies of the three of the lowest electronic states of each of the square-plana…