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• W2062872150 abstract "We report simulations of X-ray absorption near edge structure (XANES), resonant inelastic X-ray scattering (RIXS) and 1D stimulated X-ray Raman spectroscopy (SXRS) signals of cysteine at the oxygen, nitrogen, and sulfur K and L(2,3) edges. Comparison of the simulated XANES signals with experiment shows that the restricted window time-dependent density functional theory is more accurate and computationally less expensive than the static exchange method. Simulated RIXS and 1D SXRS signals give some insights into the correlation of different excitations in the molecule." @default.
• W2062872150 created "2016-06-24" @default.
• W2062872150 creator A5042193329 @default.
• W2062872150 creator A5064127062 @default.
• W2062872150 creator A5078327332 @default.
• W2062872150 creator A5085637107 @default.
• W2062872150 creator A5085953574 @default.
• W2062872150 date "2012-11-21" @default.
• W2062872150 modified "2023-10-16" @default.
• W2062872150 title "Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory" @default.
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• W2062872150 doi "https://doi.org/10.1063/1.4766356" @default.

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