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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-08-01
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| Series: | Optical Materials: X |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590147822000493 |