arXiv subjects

Elena M. Jahr

Publications and source records attributed to Elena M. Jahr.

3 recordsLinked to original sources

arXiv2026

Where to Find ICEC? - Screening 2442 Systems for Interparticle Coulombic Electron Capture

Interparticle Coulombic Electron Capture (ICEC) provides an environment-assisted pathway for electron attachment that can compete with photorecombination. Here, we present the first comprehensive survey of ICEC in atom-atom and atom-molecule systems, screening 2442 combinations in search of promising candidates for future experimental investigation. We employ the efficient asymptotic approximation to predict ICEC cross sections and electron spectra. Intramolecular nuclear motion is included, while interparticle nuclear dynamics is neglected to permit an extensive survey. We identify several classes of atom-atom and atom-molecule systems with favourable ICEC cross sections and ICEC-to-photorecombination ratios, including halogen-halide systems and systems involving a proton and diatomic molecules such as N$_2$, O$_2$, CO, and NO. These findings point to atmospheric and astrochemical environments in which ICEC may be relevant.

physics.chem-ph↗

arXiv2026

Intramolecular nuclear dynamics in intermolecular Coulombic electron capture

We present an analytical model for intermolecular Coulombic electron capture (ICEC) which includes the internal nuclear dynamics of the molecules involved. In ICEC, an electron attaches to an atom or molecule by transferring excess energy to a neighbor, ionizing said neighbor. While previous theoretical investigations assumed fixed nuclei, recent studies indicate that relative motion between the two ICEC partners significantly influences the process. Here, we incorporate the internal nuclear motion of the molecules involved into an analytical equation of the ICEC cross section. We employ two approaches: 1. utilizing theoretical vibrationally resolved photoionization cross sections and 2. applying the Franck-Condon principle. Our theory yields electron spectra, ICEC cross sections for individual vibronic transitions, and temperature dependent cross sections. Nuclear dynamics lead to a distribution of the electronic cross section over several vibrational states and, in our model system H+ LiH, triggers dissociation of LiH during ICEC.

quant-ph↗

arXiv2025

Influence of vibrational motion and temperature on interatomic Coulombic electron capture

Interatomic Coulombic Electron Capture (ICEC) is an environment-mediated process in which a free electron attaches to a species by transferring excess energy to a neighbor. While previous theoretical investigations assumed fixed nuclei, recent studies indicate that nuclear dynamics significantly influences the ICEC process. In this work, we incorporate the vibrational motion into an analytical model of the ICEC cross section including both energy and electron transfer. To validate this approach, we compare the results to the adiabatic-nuclei approximation based on fixed-nuclei ab initio R-matrix calculations. We apply our theory to the helium-neon dimer, which is ideal for studying diverse dynamical effects. We show that while vibrational dynamics can slightly reduce ICEC efficiency, ICEC remains dominant over photorecombination and can trigger dimer dissociation. Accounting for the nuclear motion also enables to describe the broadening of the electron spectrum and enables evaluation of temperature-dependent cross sections - capabilities beyond the reach of fixed-nuclei approaches.

quant-ph↗