Electronic Structure of Low‐Dimensional Inorganic/Organic Interfaces: Hybrid Density Functional Theory, G0W0, and Electrostatic Models - Krumland, Jannis; Cocchi, Caterina (Physica status solidi. A, Applications and materials science, 2024)
Keywords: Accuracy; Anthracene; Bulk density; Computing costs; Density functional theory; Electronic properties; Electronic structure; Elementary excitations; Environment models; First principles; Hybrid systems; Molybdenum disulfide; Parameterization; Perturbation theory; Substrates