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1 article related to "Density Matrix Purification Algorithm"

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Articles

Original Research

Published on 26 Nov 2020

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

in Theoretical and Computational Chemistry

Zhaolong Luo
Xinming Qin
Lingyun Wan
Wei Hu
Jinlong Yang

Frontiers in Chemistry

doi 10.3389/fchem.2020.589910

5,856 views
8 citations