Related papers: Ab initio calculations of molecular double Auger d…
Fano-ADC is a family of ab initio methods for prediction of electronic decay widths in excited, singly- and doubly-ionized systems. It has been particularly successful in elucidating the geometry dependence of the inter-atomic decay widths…
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 report on theoretical Auger electron kinetic energy distribution originated from sequential two-step Auger decays of molecular double core-hole (DCH) state, using CH4, NH3 and H2CO molecules as representative examples. For CH4 and NH3…
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…
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…
Auger decay is a relaxation process of core-vacant states in atoms and molecules, in which one valence electron fills the core vacancy while a second one is emitted. These states pose a challenge to electronic-structure theory, because they…
Determining the electron neutrino mass by electron capture in $^{163}$Ho relies on an accurate understanding of the differential electron capture nuclear decay rate as a function of the distribution of the total decay energy between the…
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…
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 report the first coupled-cluster study of Auger decay in heavy metals. The zinc atom is used as a case study due to its relevance to the Auger emission properties of the $^{67}$Ga radionuclide. Coupled-cluster theory combined with…
We study the non-radiative Auger decay of excitons in Cu$_2$O, in which two excitons scatter to an excited electron and hole. The exciton decay rate for the direct and the phonon-assisted processes is calculated from first principles;…
In this contribution we present a protocol to evaluate partial and total Auger decay rates combining the restricted active space self-consistent field electronic structure method for the bound part of the spectrum and numerically obtained…
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…
We propose a computationally simple model of Auger and APECS line shapes from open-band solids. Part of the intensity comes from the decay of unscreened core-holes and is obtained by the two-body Green's function $G^{(2)}_{\omega}$, as in…
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 propose an ab initio method to evaluate the core-valence-valence (CVV) Auger spectrum of systems with filled valence bands. The method is based on the Cini-Sawatzky theory, and aims at estimating the parameters by first-principles…
In this work, we calculate the $CP$-averaged branching ratios and direct $CP$-violating asymmetries of the quasi-two-body decays $B_{(s)}\to P f_2(1270)\to P\pi\pi$ with the two-pion distribution amplitude $\Phi_{\pi\pi}^{\rm D}$ by using…
In this work, we calculate the $CP$-averaged branching ratios and direct $CP$-violating asymmetries of the quasi-two-body decays $B_{(s)}\to P \rho^\prime(1450), P\rho^{\prime\prime}(1700)\to P \pi\pi$ by employing the perturbative QCD…
Having already achieved near-unity quantum yields, with promising properties for light-emitting diode, lasing, and charge separation applications, colloidal core/shell quantum dots have great technological potential. The shell thickness and…
We present a method for measuring branching fractions for the decay of $J = 1/2$ atomic energy levels to lower-lying states based on time-resolved recording of the atom's fluorescence during a series of population transfers. We apply this…