Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory

Fuente: arXiv

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Bibliographic Details
Main Authors:	Li, Tianbo, Lin, Min, Dale, Stephen, Shi, Zekun, Neto, A. H. Castro, Novoselov, Kostya S., Vignale, Giovanni
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Machine Learning Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2411.05033