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Resonant Raman spectroscopies beyond density-functional theory

cond-mat.mtrl-sci · 2026-07-31 · conditional · novelty 6.0

A finite-difference framework computes resonant Raman tensors with any electronic-structure method, and HSE06 outperforms semilocal DFT and one-shot GW on graphene and MoS2 intensity ratios.

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  • Resonant Raman spectroscopies beyond density-functional theory cond-mat.mtrl-sci · 2026-07-31 · conditional · none · ref 37

    A finite-difference framework computes resonant Raman tensors with any electronic-structure method, and HSE06 outperforms semilocal DFT and one-shot GW on graphene and MoS2 intensity ratios.