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- W4288113399 abstract "We describe a simplified approach to simulating Raman spectra using ab initio molecular dynamics (AIMD) calculations. Our protocol relies on on-the-fly calculations of approximate molecular polarizabilities using a sum over orbitals (as opposed to states) method." @default.
- W4288113399 created "2022-07-28" @default.
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- W4288113399 date "2019-09-06" @default.
- W4288113399 modified "2023-10-17" @default.
- W4288113399 title "A Simplified Approach to Simulating Raman Spectra from Ab Initio Molecular Dynamics" @default.
- W4288113399 doi "https://doi.org/10.48550/arxiv.1909.03142" @default.
- W4288113399 hasPublicationYear "2019" @default.
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