The usefulness of the first-principles calculations of optical properties of the materials and the type of information that can be accessed by them

The usefulness of the first-principles calculations of optical properties of the materials and the type of information that can be accessed by them

Computational experiments based on density functional theory (DFT) constitute a valuable tool for the study of atomistic properties of materials for a long time. This short review is focused on one specific part of DFT calculations that refers to a description of the linear optical response of the s...

Bibliografiset tiedot
Päätekijät:	A.F. Lima, M.V. Lalic
Aineistotyyppi:	Artikkeli
Kieli:	English
Julkaistu:	Elsevier 2022-08-01
Sarja:	Optical Materials: X
Aiheet:	DFT calculations Optical absorption Electronic structure
Linkit:	http://www.sciencedirect.com/science/article/pii/S2590147822000493

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