Multiply charged molecules

D Mathur - Physics reports, 1993 - Elsevier
Isolated metastable multiply charged molecular ions constitute a new class of molecular
entity which dissociate much less rapidly than would be expected from conventional …

The past, present, and future of auger line shape analysis

DE Ramaker - Critical Reviews in Solid State and Material …, 1991 - Taylor & Francis
This review critically evaluates the suitability of Auger spectral line shape analysis as a
source of electronic structure information. Methods for extracting the true Auger line shape …

Triple ionization and fragmentation of benzene trimers following ultrafast intermolecular Coulombic decay

J Zhou, X Yu, S Luo, X Xue, S Jia, X Zhang… - Nature …, 2022 - nature.com
Intermolecular interactions involving aromatic rings are ubiquitous in biochemistry and they
govern the properties of many organic materials. Nevertheless, our understanding of the …

Block Lanczos and many‐body theory: Application to the one‐particle Green's function

HG Weikert, HD Meyer, LS Cederbaum… - The Journal of chemical …, 1996 - pubs.aip.org
The importance of the block or band Lanczos method for many‐body Green's function
calculations of atomic and molecular systems is discussed. The usual computation schemes …

The Auger spectrum of benzene

NK Jayadev, A Ferino-Pérez, F Matz… - The Journal of …, 2023 - pubs.aip.org
We present an ab initio computational study of the Auger electron spectrum of benzene.
Auger electron spectroscopy exploits the Auger–Meitner effect, and although it is …

Ab initio investigation of the Auger spectra of methane, ethane, ethylene, and acetylene

F Matz, J Nijssen, TC Jagau - The Journal of Physical Chemistry A, 2023 - ACS Publications
We present an ab initio computational study of the Auger spectra of methane, ethane,
ethylene, and acetylene. Auger spectroscopy is an established technique to probe the …

Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. I. Benzene, naphthalene, anthracene, naphthacene, and pentacene

MS Deleuze, AB Trofimov… - The Journal of Chemical …, 2001 - pubs.aip.org
The valence ionization bands of benzene and of polyacenes ranging from naphthalene to
pentacene have been entirely assigned by means of one-particle Green's function …

Molecular Auger decay rates from complex-variable coupled-cluster theory

F Matz, TC Jagau - The Journal of Chemical Physics, 2022 - pubs.aip.org
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 …

Multiply charged ions

K Vékey - Mass Spectrometry Reviews, 1995 - Wiley Online Library
Formation, characteristics of, and applications using doubly and multiply charged ions are
reviewed in the present article. The main emphasis is on medium‐to large‐sized molecules …

Many dicationic states and two‐hole population analysis as a bridge to Auger spectra: Strong localization phenomena in BF3

F Tarantelli, A Sgamellotti… - The Journal of chemical …, 1991 - pubs.aip.org
The outer valence double ionization spectrum ofBFJ is investigated by computing 100
double ionization transitions with the Green's function method. The results show that one …