171 citations · 1.2k across the 40 of their papers we have counts for
41 papers
Transcorrelated Random-Phase Approximation
Abdallah Ammar, Enzo Monino, Anthony Scemama +2
We extend the random-phase approximation (RPA) to the non-Hermitian transcorrelated (TC) Hamiltonian, which explicitly includes three-body interactions generated by a Jastrow corre…
QMCkl: A Kernel Library for Quantum Monte Carlo Applications
Emiel Slootman, Vijay Gopal Chilkuri, Aurelien Delval +16
Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provid…
Compactification of Determinant Expansions via Transcorrelation
Abdallah Ammar, Anthony Scemama, Pierre-François Loos +1
Although selected configuration interaction (SCI) algorithms can tackle much larger Hilbert spaces than the conventional full CI (FCI) method, the scaling of their computational co…
Transcorrelated selected configuration interaction in a bi-orthonormal basis and a cheap three-body correlation factor
Abdallah Ammar, Anthony Scemama, Emmanuel Giner
In this work, we develop a mathematical framework for a Selected Configuration Interaction (SCI) algorithm within a bi-orthogonal basis for transcorrelated (TC) calculations. The b…
Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies
Diata Traore, Emmanuel Giner, Julien Toulouse
The basis-set correction method based on density-functional theory consists in correcting the energy calculated by a wave-function method with a given basis set by a density functi…
Production of positronium chloride: A study of the charge exchange reaction between Ps and Cl
K. Lévêque-Simon, A. Camper, R. Taïeb +3
We present cross sections for the formation of positronium chloride (PsCl) in its ground state from the charge exchange between positronium (Ps) and chloride (Cl) in the range…