<> "The repository administrator has not yet configured an RDF license."^^ . <> . . "Nuclear Dynamics in Electronic Decay Processes followed by Fragmentation"^^ . "The impact of the nuclear dynamics during an electronic decay process\r\nfollowed by fragmentation in a diatomic system is investigated for three\r\ndifferent examples, by using a time-dependent approach.\r\n\r\nThe first example is the prediction of the interatomic Coulombic decay\r\n(ICD) process in NeAr, following the Ne 1s Auger decay. It is a two-step\r\n(cascade) decay process where the first step is a fast Auger decay and the\r\nsecond step is the ICD of interest. A full cascade calculation has been\r\nperformed to provide the (time-resolved) Auger electron and (time-resolved)\r\nICD electron spectra. Our results show that the line width of the Auger\r\nelectron spectrum contains also the information on the total ICD width at\r\nthe equilibrium internuclear distance of NeAr. In addition, simulations show\r\nthat the nuclear motion during the first Auger step has no impact on the\r\nfollowing ICD process. This ICD process has been verified by experiment,\r\nand if a simple modification of the ab initio ICD transition rate is adopted,\r\nour simulated ICD spectrum agrees well with the experimental result.\r\n\r\nFor an electronic decay process followed by fragmentation, the energy\r\nspectrum of the emitted electron and the kinetic energy release (KER)\r\nspectrum of the ionic fragments are usually considered to be mirror images\r\nof each other. This is termed \"mirror image principle\" and is often applied\r\nin experiments. It is usually valid for the ICD electron spectrum and its\r\ncorresponding KER spectrum. However, the principle is merely an empirical\r\nrule and can break down even in a diatomic system. The molecular Auger\r\nprocess in CO is chosen as the second example, as it exhibits such a break\r\ndown of the mirror image principle. Calculated KER and electron spectra\r\nfor this process also agree well with experiment.\r\n\r\nThe resonant Auger process of HCl is chosen as the last example to\r\ndemonstrate that the interaction between a molecule and an intense laser\r\npulse (as are available today in free electron lasers) can lead to a\r\nstrong light-induced non-adiabatic effect. It is a general effect that\r\ncan be found in molecules interacting with an intense laser pulse, which\r\ngives rise to strong molecular overall rotation.\r\n\r\nBesides the above applications, a new elegant and numerically efficient\r\nformulation for evaluating the (time-resolved) KER spectrum in an electronic\r\ndecay process followed by fragmentation is derived in this work. The KER\r\nspectrum now has a simple physical interpretation: it is the accumulated\r\n(over time) generalized Franck-Condon factor between the nuclear wave\r\npacket on the intermediate decaying state and the discrete continuum\r\neigenfunctions of the dissociative final state. This new representation\r\nallows one to analyze the KER and the electron spectra, and it provides\r\nthe conditions for the mirror image principle to hold.\r\n"^^ . "2012-08-02" . . . . . . . "Ying-Chih"^^ . "Chiang"^^ . "Ying-Chih Chiang"^^ . . . . . . "Nuclear Dynamics in Electronic Decay Processes followed by Fragmentation (PDF)"^^ . . . "lythesis.pdf"^^ . . . "Nuclear Dynamics in Electronic Decay Processes followed by Fragmentation (Other)"^^ . . . . . . "indexcodes.txt"^^ . . . "Nuclear Dynamics in Electronic Decay Processes followed by Fragmentation (Other)"^^ . . . . . . "lightbox.jpg"^^ . . . "Nuclear Dynamics in Electronic Decay Processes followed by Fragmentation (Other)"^^ . . . . . . "preview.jpg"^^ . . . "Nuclear Dynamics in Electronic Decay Processes followed by Fragmentation (Other)"^^ . . . . . . "medium.jpg"^^ . . . "Nuclear Dynamics in Electronic Decay Processes followed by Fragmentation (Other)"^^ . . . . . . "small.jpg"^^ . . "HTML Summary of #14017 \n\nNuclear Dynamics in Electronic Decay Processes followed by Fragmentation\n\n" . "text/html" . . . "540 Chemie"@de . "540 Chemistry and allied sciences"@en . .