activity
20172025
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5.5k across the 23 of their papers we have counts for

collaborators
Showing 2017Show all

1 paper · 1 filter

physics.chem-ph2017★ 17 cited

Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals

Dorothea Golze, Niels Benedikter, Marcella Iannuzzi +2

An integral scheme for the efficient evaluation of two-center integrals over contracted solid harmonic Gaussian functions is presented. Integral expressions are derived for local o…