Anharmonic Raman spectra simulation of crystals from deep neural networks
Raman spectroscopy is an effective tool to analyze the structures of various materials as it provides chemical and compositional information. However, the computation demands for Raman spectra are typically significant because quantum perturbation calculations need to be performed beyond ground stat...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2021-03-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0040190 |