Related papers: Dissociative Electron Attachment to Polyatomic Mol…
Aims. We present a systematic theoretical study on 40 polycyclic aromatic hydrocarbons dications (PAHs++) containing up to 66 carbon atoms. Methods. We performed our calculations using well established quantum-chemical techniques in the…
We consider trasfer-ionization in collisions of fast (3.6 -- 11 MeV/u) protons, alpha-particles and lithium nuclei with helium atoms. There are just a few basic mechanisms contributing to this process which can be grouped into correlated…
We present experimental results on the ionization/dissociation of methane in femtosecond pulses of radiation. Angular and intensity dependent yields of singly and doubly charged species were measured using an imaging mass spectrometer. The…
Closed analytical formulas are derived for the differential and total cross sections of the non-relativistic photoelectric effect in the three main classes of few-electron atomic systems: (1) neutral atoms and positively charged atomic ions…
Test particles interact with a medium by means of a bimolecular reversible chemical reaction. Two species are assumed to be much more numerous so that they are distributed according fixed distributions: Maxwellians and Dirac's deltas.…
We have investigated the quantum dynamics of O2 dissociative adsorption on a Ag(111) surface. We performed the calculations with a Hamiltonian where the O2 translational motion is perpendicular to the surface and for O2 vibrational energy.…
The electronic structure and the chemical state in Am binary oxides and Am-doped UO$_2$ were studied by means of x-ray absorption spectroscopy at shallow Am core ($4d$ and $5d$) edges. In particular, the Am $5f$ states were probed and the…
In this preprint I propose that the non local discrete-state-in-continuum model previously successfully used to describe the inelastic electron molecule collisions can also be used to model the electron photo-detachment from the molecular…
We have studied the chemisorption processes of O2 on the (100) surface of uranium using generalized gradient approximation to density functional theory. Dissociative adsorptions of O2 are significantly favored compared to molecular…
In concentrated solutions of NaClO4 and Na2SO4, the quantum yield for free electron generated by detachment from photoexcited anions (such as I-, OH-, ClO^4-, and [SO3]^2-) linearly decreases by 6-12% per 1 M ionic strength. In 9 M sodium…
The variation with energy of the total cross section for elastic electron scattering from atoms of several elements is caused primarily by shape resonances corresponding to the formation of temporary negative ions. It is shown that such…
In the framework of Density Functional Theory with Strongly Correlated Electrons we consider the so called bond dissociating limit for the energy of an aggregate of atoms. We show that the multi-marginals optimal transport cost with…
The possibility of axion detection by observing axion induced atomic excitations as suggested by Sikivie is discussed. The atom is cooled at low temperature and it is chosen to posses three levels. The first is the ground state, the second…
We measured the angular dependence of the three recoil proton polarization components in two-body photodisintegration of the deuteron at a photon energy of 2 GeV. These new data provide a benchmark for calculations based on quantum…
We present calculations of the electron angular distributions in the single ionization of helium by 1-MeV proton impact at momentum transfer of 0.75 a.u. and ejected-electron energy of 6.5 eV. The results using the first and second Born…
Spectral lines of ammonia, NH$_3$, are useful probes of the physical conditions in dense molecular cloud cores. In addition to advantages in spectroscopy, ammonia has also been suggested to be resistant to freezing onto grain surfaces,…
In the course of our investigations of the adsorption of ions to the air-water interface, we previously reported the surprising result that doubly-charged carbonate anions exhibit a stronger surface affinity than do singly-charged…
We present an EOM-CCSD based QM/MM study on the electron attachment process to cytosine, solvated in water. The microhydration studies cannot capture the effect of bulk water environment on the electron attachment process and one need to…
The ionization potential distributions of hydrated hydroxide and hydronium are computed with many-body approach for electron excitations with configurations generated by {\it ab initio} molecular dynamics. The experimental features are well…
For a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian shape we evaluate all the electron-phonon couplings derived from the one-body and two-body electronic interactions, considering both the adiabatic and…