V. Weber

activity

20032020

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

4.5k citations · 4.9k across the 15 of their papers we have counts for

collaborators

Showing 2004 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2004★ 24 cited

Higher Order Response in $O (N)$ by Perturbed Projection

Valéry Weber, Anders M. N. Niklasson, Matt Challacombe

Perturbed projection for linear scaling solution of the coupled-perturbed self-consistent-field equations [Weber, Niklasson and Challacombe, Phys. Rev.\ Lett. {\bf 92}, 193002 (200…

cond-mat.mtrl-sci2004★ 37 cited

Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the $Γ$ -point

C. J. Tymczak, Valéry T. Weber, Eric Schwegler +1

A translationally invariant formulation of the Hartree-Fock (HF) $Γ$ -point approximation is presented. This formulation is achieved through introduction of the Minimum Image Conven…

Higher Order Response in O(N) by Perturbed Projection

Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the Γ-point

Higher Order Response in $O (N)$ by Perturbed Projection

Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the $Γ$ -point