Emmanuel Giner
Emmanuel Giner
Chercheur, Sorbonne Universités
Verified email at lct.jussieu.fr
Title
Cited by
Cited by
Year
Using perturbatively selected configuration interaction in quantum Monte Carlo calculations
E Giner, A Scemama, M Caffarel
Canadian Journal of Chemistry 91 (9), 879-885, 2013
1022013
Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions
E Giner, A Scemama, M Caffarel
The Journal of chemical physics 142 (4), 044115, 2015
682015
Selected configuration interaction dressed by perturbation
Y Garniron, A Scemama, E Giner, M Caffarel, PF Loos
The Journal of chemical physics 149 (6), 064103, 2018
592018
Quantum package 2.0: An open-source determinant-driven suite of programs
Y Garniron, T Applencourt, K Gasperich, A Benali, A Ferté, J Paquier, ...
Journal of chemical theory and computation 15 (6), 3591-3609, 2019
552019
Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule
M Caffarel, T Applencourt, E Giner, A Scemama
The Journal of chemical physics 144 (15), 151103, 2016
452016
Accurate nonrelativistic ground-state energies of 3d transition metal atoms
A Scemama, T Applencourt, E Giner, M Caffarel
The Journal of chemical physics 141 (24), 244110, 2014
452014
Spin density distribution in open-shell transition metal systems: A comparative post-hartree–fock, density functional theory, and quantum monte carlo study of the CuCl2 molecule
M Caffarel, E Giner, A Scemama, A Ramírez-Solís
Journal of chemical theory and computation 10 (12), 5286-5296, 2014
392014
Quantum Monte Carlo with very large multideterminant wavefunctions
A Scemama, T Applencourt, E Giner, M Caffarel
Journal of computational chemistry 37 (20), 1866-1875, 2016
332016
Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density
A Ferté, E Giner, J Toulouse
The Journal of chemical physics 150 (8), 084103, 2019
242019
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves
E Giner, C Angeli, Y Garniron, A Scemama, JP Malrieu
The Journal of chemical physics 146 (22), 224108, 2017
232017
Using CIPSI nodes in diffusion Monte Carlo
M Caffarel, T Applencourt, E Giner, A Scemama
Recent Progress in Quantum Monte Carlo, 15-46, 2016
222016
Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach
E Giner, B Pradines, A Ferté, R Assaraf, A Savin, J Toulouse
The Journal of chemical physics 149 (19), 194301, 2018
202018
Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions
E Giner, R Assaraf, J Toulouse
Molecular Physics 114 (7-8), 910-920, 2016
192016
Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions
E Giner, R Assaraf, J Toulouse
Molecular Physics 114 (7), 2016
192016
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2− molecules: Some insights from wave function theory
E Giner, C Angeli
The Journal of chemical physics 143 (12), 124305, 2015
172015
Chemically accurate excitation energies with small basis sets
E Giner, A Scemama, J Toulouse, PF Loos
The Journal of Chemical Physics 151 (14), 144118, 2019
162019
A Density-Based Basis-Set Correction for Wave Function Theory
PF Loos, B Pradines, A Scemama, J Toulouse, E Giner
The journal of physical chemistry letters 10 (11), 2931-2937, 2019
162019
A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism
E Giner, G David, A Scemama, JP Malrieu
The Journal of chemical physics 144 (6), 064101, 2016
162016
Full-configuration-interaction study of the metal-insulator transition in model systems: Peierls dimerization in Hn rings and chains
E Giner, GL Bendazzoli, S Evangelisti, A Monari
The Journal of chemical physics 138 (7), 074315, 2013
162013
Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster
Y Garniron, E Giner, JP Malrieu, A Scemama
The Journal of chemical physics 146 (15), 154107, 2017
142017
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Articles 1–20