Journal
PHYSICAL REVIEW B
Volume 79, Issue 8, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.085108
Keywords
configuration interactions; Green's function methods; ground states; molecular electronic states; Raman spectra; valence bands; X-ray spectra
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Spontaneous and stimulated resonant inelastic x-ray Raman-scattering signals are calculated using the Keldysh-Schwinger closed-time path loop and expressed as overlaps of doorway and window electron-hole wave packets. These are recast in terms of the one-particle Green's functions and expansion coefficients of configuration-interaction singles for valence excitations, which can be obtained from standard electronic structure codes. Calculation for many-body states of ground and core-excited systems is avoided.
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