Blog | Atomistic Computer Simulations: A Practical Guide

Posts tagged “hybrids”

The accuracy of semi-local functionals October 5, 2015 . DFT . A brief update DFT Accuracy hybrids
Band offsets in semiconductors: GW and hybrid functionals June 27, 2014 . Techniques . How can we characterise the accuracy of solid-state DFT codes ? DFT testing parameters GW hybrids
Increasing accuracy of DFT with hybrids and corrections July 25, 2013 . accuracy . Corrections to hybrid functionals for defect energies DFT hybrids accuracy