Theory and Practice of Density-Functional Theory

2011/08/04 by Peter E. Blöchl, Blöchl, Peter E.
Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Other Condensed Matter (cond-mat.other) #cond-mat.other #physics.chem-ph

paper · pdf · doi:10.48550/arxiv.1108.1104

43 pages, 8 figures

arxiv created 2011/08/04 · openalex publication_date 2011/08/04 · arxiv updated 2011/08/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

A introduction into density-functional theory and electronic structure methods is given, that aims at providing an intuitive understanding of the underlying concepts for the novice as well as an entry point towards the more advanced scientific literature.

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