Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS

RT @Daoyu15: https://t.co/u4xn9qrzP2

New Research: Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS: Linear-scaling density functional theory (DFT) is an efficient method to describe the… https://t.co/96ToXji