Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique

DOI10.1016/j.cpc.2019.107065OpenAlexW2992261955WikidataQ126632099 ScholiaQ126632099MaRDI QIDQ2698856

Walter R. L. Lambrecht, Swagata Acharya, Kirill D. Belashchenko, Francois Jamet, Dimitar Pashov, Jerome Jackson, Athanasios Chantis, Mark Van Schilfgaarde

Publication date: 25 April 2023

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

Full work available at URL: https://arxiv.org/abs/1907.06021

zbMATH Keywords

density functional theorymany-body perturbation theorylinear muffin tin orbitalscreening transformation

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX) Information and communication theory, circuits (94-XX)

Related Items

Ising-like models for stacking faults in a free electron metal, Questaal

Uses Software

• WIEN2k
• FLEUR
• exciting
• ecalj

Cites Work

• Electronic structure calculations of solids using the WIEN2k package for material sciences
• Nonsingular Hankel functions as a new basis for electronic structure calculations
• Wave Functions in a Periodic Potential
• A New Method for Calculating Wave Functions in Crystals
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