Theoretical Calculation of Core-Excited States along Dissociative Pathways beyond Second-Order Perturbation Theory.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00884
Abstract: We extend the multireference driven similarity renormalization (MR-DSRG) method to compute core-excited states by combining it with a GASSCF treatment of orbital relaxation and static electron correlation effects. We consider MR-DSRG treatments of dynamical correlation… read more here.
Keywords: theory; core excited; excited states; perturbation theory ... See more keywords
Energy Levels of Core-Excited 1s2l2l′ States in Lithium-Like Ions: Argon to Uranium
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical and Chemical Reference Data"
DOI: 10.1063/1.5034574
Abstract: Energy levels and fine-structure intervals of the $1s2l2l'$ core-excited states are calculated for ions along the Li isoelectronic sequence from argon to uranium. The calculation is performed by the relativistic configuration-interaction method adapted for treatment… read more here.
Keywords: levels core; core excited; argon uranium; 1s2l2l states ... See more keywords
Stimulated resonant inelastic x-ray scattering with chirped, broadband pulses
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review A"
DOI: 10.1103/physreva.99.013425
Abstract: We present an approach for initiating and tracing ultra-fast electron dynamics in core-excited atoms, molecules and solids. The approach is based on stimulated resonant inelastic x-ray scattering induced by a single, chirped, broadband XUV/x-ray pulse.… read more here.
Keywords: ray scattering; inelastic ray; ray; resonant inelastic ... See more keywords