Related papers: Selective Bond-Breaking in Formic Acid by Dissocia…
We propose a novel mechanism of electron localization and molecular symmetry breaking in dissociative photoionization of the H$_2$ molecule. The Coulomb field of the ejected electron can induce transition of the remaining H$_2^+$ ion from…
The reaction dynamics of H$_2$COO to form linear HCOOH and dioxirane as first steps for OH-elimination is quantitatively investigated. Using a machine learned potential energy surface at the CASPT2/aug-cc-pVTZ level of theory vibrational…
Momentum imaging measurements from two experiments are presented and interpreted with the aid of new ab initio theoretical calculations to describe the dissociative electron attachment (DEA) dynamics. We address the problem of how the 4 eV…
Motivated by solid-state studies on the cleavage force in Si, and the consequent stretching of chemical bonds, we here study bond stretching in the, as yet unsynthesized, free space molecule Si6H6. We address the question as to whether…
We report on the measurement and analysis of photoionisation, mass-analysed-threshold-ionisation and pulsed-field-ionisation zero-kinetic-energy photoelectron spectra of HD in the vicinity of the dissociative-ionisation thresholds H$^+$ +…
Low energy electron attachment to mixed (H$_2$)$_x$/(O$_2$)$_y$ clusters and their deuterated analogues has been investigated for the first time. These experiments were carried out using liquid helium nanodroplets to form the clusters, and…
Anions and radicals are important for many applications including environmental chemistry, semiconductors, and charge transfer, but are poorly described by the available approximate energy density functionals. Here we test an approximate…
We have measured fragmentation branching ratios of neutral CnH and CnH+ cations produced in high velocity (4.5 a.u) collisions between incident CnH+ cations and helium atoms. Electron capture gives rise to excited neutral species CnH and…
Using infrared spectroscopy combined with ab initio methods we study reactions of H$_2$O and CO inside the confined spaces of Zn-MOF-74 channels. Our results show that, once the water dissociation reaction H$_2$O$\;\rightarrow\;$OH+H takes…
Observations of four comets made with the Far Ultraviolet Spectroscopic Explorer show the rotational envelope of the (0,0) band of the CO Hopfield-Birge system (C - X) at 1088 A to consist of both "cold" and "hot" components, the "cold"…
We studied dissociation reactions of electron impact on water vapor for several fragment species at optical and near ultraviolet wavelengths (200 - 850 nm). The resulting spectrum is dominated by the Hydrogen Balmer series, by the OH (A…
We study the quantum dynamics of a strongly correlated electron pair in a one-dimensional lattice, focusing on the occurrence of local dissociation/pairing mechanisms induced by a site energy defect. To this end, we simulate the time…
We present numerical results for the dissociation cross sections of ground-state, orbitally- and radially-excited charmonia in collisions with light mesons. Our results are derived using the nonrelativistic quark model, so all parameters…
We consider a mixture of fermionic and bosonic atoms nearby interspecies Feshbach resonances, which have been observed recently in $^6$Li-$^{23}$Na mixture by MIT group, and in $^{40}$K-$^{87}$Rb mixture by JILA group. We point out that the…
We reported an imaging study of the dissociation dynamics of temporary negative ion N2O- formed in the low-energy electron attachment, e- + N2O -> N2O- -> N2 + O-. With the help of ab initio molecular dynamics calculations, the evolution of…
The Falicov-Kimball model consists of spinless electrons and classical particles (ions) on a lattice. The electrons hop between nearest neighbor sites while the ions do not. We consider the model with equal numbers of ions and electrons and…
Dipolar dissociation processes in the electron collisions with carbon monoxide have been studied using time of flight (TOF) mass spectroscopy in combination with the highly differential velocity slice imaging (VSI) technique. Probing…
We compute EOM-EA-CCSD and EOM-EA-CCSDT potential energy curves and one-electron properties of several anions at bond lengths close to where these states become unbound. In the potential energy curves of the totally symmetric anions of HCl…
Branching ratios for fragmentation channels of important meta- and unstable species are essential for a molecular-level characterization of atmospheric chemistry. Here, the molecular product channels for the decomposition dynamics of the…
The bound-free electron-positron pair production is considered for relativistic heavy ion collisions. In particular, cross sections are calculated for the pair production with the simultaneous capture of the electron into the 1s ground…