Fast and Scalable GPU-Accelerated Quantum Chemistry for Periodic Systems with Gaussian Orbitals: Implementation and Hybrid Density Functional Theory Calculations

Fuente: arXiv

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Bibliographic Details
Main Authors:	Wang, Yuanheng, Hait, Diptarka, Unzueta, Pablo A., Zhang, Juncheng Harry, Martínez, Todd J.
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2410.22278