papers
Publications (15)
physics.chem-ph2014
Fixed-Node Diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions
Emmanuel Giner, Anthony Scemama, Michel Caffarel
physics.chem-ph2017
Alternative definition of excitation amplitudes in Multi-Reference state-specific Coupled Cluster
Yann Garniron, Emmanuel Giner, Jean-Paul Malrieu +1
physics.comp-ph2013
An efficient implementation of Slater-Condon rules
Anthony Scemama, Emmanuel Giner
physics.chem-ph2018
Curing basis-set convergence of wave-function theory using density-functional theory: a systematically improvable approach
Emmanuel Giner, Barthélémy Pradines, Anthony Ferté +3
physics.chem-ph2016
Using CIPSI nodes in diffusion Monte Carlo
Michel Caffarel, Thomas Applencourt, Emmanuel Giner +1
physics.chem-ph2019
Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density
Anthony Ferté, Emmanuel Giner, Julien Toulouse
math.OC2015
A useful underestimate for the convergence of integral functionals
Emmanuel Giner
physics.chem-ph2015
Efficiency of a Multi-Reference Coupled Cluster method
Emmanuel Giner, Grégoire David, Anthony Scemama +1
physics.chem-ph2016
Quantum Monte Carlo with reoptimized perturbatively selected configuration-interaction wave functions
Emmanuel Giner, Roland Assaraf, Julien Toulouse
physics.chem-ph2018
Selected configuration interaction dressed by perturbation
Yann Garniron, Anthony Scemama, Emmanuel Giner +2
cond-mat.str-el2018
Interplay between electronic correlation and metal-ligand delocalization in the spectroscopy of transition metal compounds: case study on a series of planar Cu$^{2+}$ complexes
Emmanuel Giner, David Tew, Yann Garniron +1
physics.chem-ph2015
Quantum Monte Carlo with very large multideterminant wavefunctions
Anthony Scemama, Thomas Applencourt, Emmanuel Giner +1
physics.chem-ph2017
A Jeziorski-Monkhorst fully uncontracted Multi-Reference perturbative treatment I: principles, second-order versions and tests on ground state potential energy curves
Emmanuel Giner, Celestino Angeli, Yann Garniron +2
physics.chem-ph2016
Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule
Michel Caffarel, Thomas Applencourt, Emmanuel Giner +1
physics.chem-ph2014
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
Michel Caffarel, Emmanuel Giner, Anthony Scemama +1