Graphics processing unit acceleration of the random phase approximation in the projector augmented wave method

DOI10.1016/j.cpc.2013.07.014zbMath1344.81037arXiv1307.8052OpenAlexW2078730122MaRDI QIDQ313933

Christopher O'Grady, Lin Li, Jun Yan

Publication date: 12 September 2016

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1307.8052

zbMATH Keywords

graphics processing unitadiabatic connection fluctuation-dissipation theoryrandom phase approximation

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Many-body theory; quantum Hall effect (81V70) Molecular physics (81V55) Numerical algorithms for specific classes of architectures (65Y10)

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Cites Work

• Speeding up plane-wave electronic-structure calculations using graphics-processing units