Compression of Wannier functions into Gaussian-type orbitals
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Publication:2102492
DOI10.1016/J.CPC.2018.04.011OpenAlexW2963780342WikidataQ129911849 ScholiaQ129911849MaRDI QIDQ2102492FDOQ2102492
Authors: Athmane Bakhta, É. Cancès, Paul Cazeaux, Shiang Fang, Efthimios Kaxiras 
Publication date: 28 November 2022
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1712.02996
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Cites Work
- Wannier90: A tool for obtaining maximally-localised Wannier functions
- Optimization Toolbox
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- Greedy approximation
- Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
- The Structure of Electronic Excitation Levels in Insulating Crystals
- On performance of greedy algorithms
- Bloch bundles, Marzari-Vanderbilt functional and maximally localized Wannier functions
- Orthogonal Orbitals and Generalized Wannier Functions
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