171 citations · 841 across the 18 of their papers we have counts for
19 papers
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…
Systematic lowering of the scaling of Monte Carlo calculations by partitioning andsubsampling
Antoine Bienvenu, Jonas Feldt, Julien Toulouse +1
We propose to compute physical properties by Monte Carlo calculations using conditional expectation values. The latter are obtained on top of the usual Monte Carlo sampling by part…
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…
Curing basis-set convergence of wave-function theory using density-functional theory: a systematically improvable approach
Emmanuel Giner, Barthélémy Pradines, Anthony Ferté +3
The present work proposes to use density-functional theory (DFT) to correct for the basis-set error of wave-function theory (WFT). One of the key ideas developed here is to define…
Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets
Emanuele Coccia, Roland Assaraf, Eleonora Luppi +1
We propose a method for obtaining effective lifetimes of scattering electronic states for avoiding the artificially confinement of the wave function due to the use of incomplete ba…
Optimizing the energy with quantum Monte Carlo: A lower numerical scaling for Jastrow-Slater expansions
Roland Assaraf, Saverio Moroni, Claudia Filippi
We present an improved formalism for quantum Monte Carlo calculations of energy derivatives and properties (e.g. the interatomic forces), with a multideterminant Jastrow-Slater fun…