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Abstract
A coupled cluster protocol rooted in damped response theory is presented for computing Resonant Inelastic X-Ray Scattering spectra of molecules in gas-phase. Working equations are reported for both linear (i.e., equation-of-motion) and non-linear
parametrizations of the coupled-cluster wavefunction response. A simple scheme to
compute non-resonant X-ray emission spectra is also proposed. Illustrative results are
presented for water.
parametrizations of the coupled-cluster wavefunction response. A simple scheme to
compute non-resonant X-ray emission spectra is also proposed. Illustrative results are
presented for water.
