相关论文: Ab initio computation of Auger decay in heavy meta…

The emission of an Auger electron is the predominant relaxation mechanism of core-vacant states in molecules composed of light nuclei. In this non-radiative decay process, one valence electron fills the core vacancy while a second valence…

We model Auger spectra using second-order M\o ller-Plesset perturbation (MP2) theory combined with complex-scaled basis functions. For this purpose, we decompose the complex MP2 energy of the core-hole state into contributions from specific…

Vacancies in the L1 shell of atoms and molecules can decay non-radiatively via Coster-Kronig decay whereby the vacancy is filled by an electron from the L2,3 shell while a second electron is emitted into the ionization continuum. This…

Results of the most sophisticated measurements in coincidence of the angular resolved K-shell photo- and Auger-electrons, and of two atomic ions produced by dissociation of N2 molecule, are analyzed. Detection of photoelectrons at certain…

CVV Auger electron spectra are calculated for a multi-band Hubbard model including correlations among the valence electrons as well as correlations between core and valence electrons. The interest is focused on the ferromagnetic…

Efficiently and accurately computing molecular Auger electron spectra for larger systems is limited by the increasing complexity of the scaling in the number of doubly ionized final states with respect to the system size. In this work, we…

We devise an ab initio formalism for the quantum dynamics of Auger decay by laser-dressed atoms which are inner-shell ionized by extreme ultraviolet (XUV) light. The optical dressing laser is assumed to be sufficiently weak such that…

With on- and off- resonant excitation photons, spin-resolved Auger electron spectra of epitaxial CrO$_{2}$ thin films show an experimental evidence of the spin-selective KLL Auger decay. The on-resonance O KLL Auger electrons are found to…

The fragmentation of molecular cations following inner-shell decay processes in molecules containing heavy elements underpins the x-ray damage effects observed in x-ray scattering measurements of biological and chemical materials, as well…

We perform ab initio simulations of the total and partial Auger decay widths of 1s^-1, 2s^-1, and 2p^-1 ionized hydrogen sulfide and 2s^-1 ionized argon with non-Hermitian quantum chemistry. We use coupled cluster theory with single and…

As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line…

An elaborate least-squares variational technique is proposed for obtaining improved continuum wavefunctions of Auger electrons emitted from arbitrary systems the electronic structures of which are determined via one of the computer codes…

We discuss a new strategy to compute partial Auger decay widths with equation-of-motion ionisation-potential coupled-cluster (EOMIP-CCSD) wave functions in the framework of non-Hermitian quantum mechanics, where the decaying character of…

Using attoscience, we study the electron correlations responsible for Auger decay in krypton atoms. The Auger decay is induced by a pulse train or a twin pulse composed of subpulses of attosecond duration. During the Auger decay an optical…

A detailed analysis of the radiative and Auger de-excitation channels of K-shell vacancy states in Fe II-Fe IX has been carried out. Level energies, wavelengths, A-values, Auger rates and fluorescence yields have been calculated for the…

A set of electron-correlation energies as large as 10 eV have been measured for a magnetic 2ML Fefilm deposited on Ag(001). By exploiting the spin selectivity in angle-resolved Auger-photoelectroncoincidence spectroscopy and the…

The Zeeman-split spin states of a single quantum dot can be used together with its optical trion transitions to form a spin-photon interface between a stationary (the spin) and a flying (the photon) quantum bit. Besides long coherence times…

Auger-Meitner processes are electronic decay processes of energetically low-lying vacancies. In these processes, the vacancy is filled by an electron of an energetically higher lying orbital, while another electron is simultaneously emitted…

Auger electrons emitted after nuclear decay have potential application in targeted cancer therapy. For this purpose it is important to know the Auger electron yield per nuclear decay. In this work we describe a measurement of the ratio of…

A mixed quantum mechanical and Monte Carlo method for calculating Auger spectra from nanoclusters is presented. The approach, based on a cluster method, consists of two steps. Ab initio quantum mechanical calculations are first performed to…