239 citations · 1.7k across the 26 of their papers we have counts for
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cond-mat1999★ 122 cited
Correlated sampling in quantum Monte Carlo: a route to forces
Claudia Filippi, C. J. Umrigar
In order to find the equilibrium geometries of molecules and solids and to perform ab initio molecular dynamics, it is necessary to calculate the forces on the nuclei. We present a…
cond-mat1999
Optimal orbitals from energy fluctuations in correlated wave functions
Stephen Fahy, Claudia Filippi
A quantum Monte Carlo method of determining Jastrow-Slater wave functions for which the energy is stationary with respect to variations in the single-particle orbitals is presented…