Correcting delocalization error in materials with localized orbitals and linear-response screening

Physical review. B./Physical review. B 2026 Open access

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Authors: J. Williams, Weitao Yang
DOI: 10.1103/zwtk-fx36
Cited by: 3
References: 95

Abstract

, 2492 (2025)]. lrLOSC is an essential step toward modeling molecules, materials, and their interfaces within the same DFT framework.

Fields of Study & Subjects

Elasticity and Wave Propagation High-Velocity Impact and Material Behavior

Publication details

Journal / source
Physical review. B./Physical review. B
Publisher
American Physical Society (APS)
Volume
113
Issue
16
Publication date
19 March 2026
Language
EN