150 citations · 157 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2019★ 7 cited
Pseudo-Fragment Approach for Extended Systems Derived from Linear-Scaling DFT
Laura E. Ratcliff, Luigi Genovese
We present a computational approach which is tailored for reducing the complexity of the description of extended systems at the density functional theory level. We define a recipe…
physics.chem-ph2016★ 150 cited
Challenges in Large Scale Quantum Mechanical Calculations
Laura E. Ratcliff, Stephan Mohr, Georg Huhs +3
During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made…