Double-core Excitations in Formamide Can Be Probed by X-ray Double-quantum-coherence Spectroscopy
arXiv:1303.4721 · doi:10.1063/1.4798635
Abstract
The attosecond, time-resolved X-ray double-quantum-coherence (XDQC) four wave mixing signals of formamide at the nitrogen and oxygen K-edges are simulated using restricted excitation window time-dependent density functional theory (REW-TDDFT) and the excited core hole (XCH) approximation. These signals, induced by core exciton coupling, are particularly sensitive to the level of treatment of electron correlation, thus providing direct experimental signatures of electron core hole many-body effects and a test of electronic structure theories.
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