An overview is presented of the theory of X-ray Raman scattering. Second-order
perturbation theory for the interaction between matter and light is used as a common starting …

We present the use of the recently developed square gradient minimization (SGM) algorithm
for excited-state orbital optimization to obtain spin-pure restricted open-shell Kohn–Sham …

Ultrafast dissociation following core–shell excitation into an antibonding orbital led to the
early observation in HBr of atomic Auger lines associated to the decay of dissociated excited …

Core excitation of gaseous HCl to the dissociative σ* state leads to a deexcitation spectrum
with two qualitatively different contributions—a broad molecular background and narrow …

We present direct evidence for ultra-fast dissociation of molecular water in connection photo-
excitation of the O1s→ 4a1 resonance. The core-excited H2O molecules are shown to …

Relativistic effects are of major importance for understanding the properties of heavier atoms
and molecules. Volumes I-III of Relativistic Theory of Atoms and Molecules constitute the …

Time-independent and time-dependent theory of radiative and nonradiative resonant x-ray
scattering (RXS) involving dissociative molecular states is presented. A strong space …

The nuclear dynamics accompanying the excitation to and the subsequent decay of an
electronic state is discussed. Particular attention is paid to cases, in which the whole process …

We investigate the temporal evolution of molecular frame angular distributions of Auger
electrons emitted during ultrafast dissociation of HCl following a resonant single-photon …

The resonant Auger process is studied in intense x-ray laser fields. It is shown that the
dressing of the initial and decaying states by the field leads to coupled complex potential …