activity
20152026
most citedRange-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density

49 citations · 98 across the 8 of their papers we have counts for

collaborators
Showing 2016 · physics.chem-phShow all

1 paper · 2 filters

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

All-electron Fixed-node Diffusion Monte Carlo (FN-DMC) calculations for the nonrelativistic ground-state energy of the water molecule at equilibrium geometry are presented. The det…