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QE-CONVERSE: An open-source package for the quantum ESPRESSO distribution to compute non-perturbatively orbital magnetization from first principles, including NMR chemical shifts and EPR parameters

S. Fioccola; L. Giacomazzi; D. Ceresoli; N. Richard; A. Hemeryck; L. Martin-Samos
Computer Physics Communications · Vol. 318 · pp. 109891 · 2026
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Bibliographic Information

JournalComputer Physics Communications
PublisherNorth-Holland
Publication Date2026-01-01
Publication Year2026
Volume318
Pages109891
Document TypeJournal Article
eISSN0010-4655
DOI10.1016/j.cpc.2025.109891
SubjectEarth and Planetary Sciences

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NARA Access Coverage1969-07-01~Current
Journal Homepagehttps://www.sciencedirect.com/science/journal/00104655
Publisher PageOpen Publisher Page
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