activity
20222026
most citedBenchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules

17 citations · 35 across the 5 of their papers we have counts for

collaborators
Showing 2022Show all

1 paper · 1 filter

physics.chem-ph2022★ 8 cited

Approaching the basis-set limit of the dRPA correlation energy with explicitly correlated and Projector Augmented-wave methods

Moritz Humer, Michael E. Harding, Martin Schlipf +4

The direct random-phase approximation (dRPA) is used to calculate and compare atomization energies for the HEAT set and 10 selected molecules of the G2-1 set using both plane waves…