Towards core-excitation spectra in attosecond spectroscopy: A coupled-cluster study of ClF
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.05.017
Abstract: Abstract The increasing availability of short timescale spectroscopy techniques allows for more accurate probing of nuclear and electronic dynamics. This work studies the underlying potential energy curves for the core-ionized and core-excited states of ClF.… read more here.
Keywords: towards core; core excitation; spectroscopy; coupled cluster ... See more keywords
All-Electron Gaussian-Based G0W0 for Valence and Core Excitation Energies of Periodic Systems.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c00704
Abstract: We describe an all-electron G0W0 implementation for periodic systems with k-point sampling implemented in a crystalline Gaussian basis. Our full-frequency G0W0 method relies on efficient Gaussian density fitting integrals and includes both analytic continuation and… read more here.
Keywords: gaussian based; based g0w0; electron gaussian; core excitation ... See more keywords
Core-excitation effects in three-body breakup reactions studied using the Faddeev formalism
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review C"
DOI: 10.1103/physrevc.99.024613
Abstract: Previous studies of $(d,p)$ reactions in three-body (proton, neutron, nuclear core) systems revealed a nontrivial effect of the core excitation: the transfer cross section cannot be factorized into the spectroscopic factor and the single-particle cross… read more here.
Keywords: three body; core excitation; excitation; breakup ... See more keywords