EPJ D Topical review - Electron collisions with molecules and molecular clusters
- Details
- Published on 25 March 2020
Over the last ten years, advances in the computational investigation of electron collision processes have seen an overhaul of many of the software packages employed by researchers, in parallel with the development of new tools. In particular, the increased interest in biological molecules as targets has stimulated the development of software which makes use of current computational abilities. These developments have enabled scientists to study small targets with increasing levels of detail, larger targets than ever before, and the effect of the environment by means of the investigation of small molecular clusters.
In a Topical Review just published in EPJD, Jimena Gorfinkiel (Open University, UK) describes state-of-the art computational studies of electron collisions with molecules and small molecular clusters with results obtained from the application of the R-matrix method and the UKRMol/ UKRMol+ suites. The article illustrates how high-level calculations of electronic excitation cross sections and core-excited resonances show excellent agreement with experiment for mid-size molecules like pyrimidine and thiophene. It shows how simpler calculations are paving the way for an in-depth understanding of the effect of hydration on resonance formation: how the shift in resonance energy depends on the characteristics of the hydrogen bond and the resonance being studied. The paper is part of the Topical Issue on Low-Energy Positron and Positronium Physics and Electron-Molecule Collisions and Swarms (POSMOL 2019).
Jimena D. Gorfinkiel (2020),
Electron collisions with molecules and molecular clusters,
European Physical Journal D 74:51, DOI: 10.1140/epjd/e2020-100550-7
Open calls for papers
-
EPJ A Topical Issue: First joint gravitational wave and electromagnetic observations: Implications for nuclear and particle physics
-
EPJ A Topical Issue: Heavy and Super-Heavy Nuclei and Elements: Production and Properties
-
EPJ A Topical Issue: Light clusters in nuclei and nuclear matter: Nuclear structure and decay, heavy ion collisions, and astrophysics
-
EPJ A Topical Issue: The QCD Phase Diagram in Strong Magnetic Fields
-
EPJ B Topical Issue: Extreme Value Statistics and Search in Biology: Theory and Simulations
-
EPJ B Topical Issue: Evolutionary Game Theory
-
EPJ B Topical Issue: Recent progress and emerging trends in Molecular Dynamics
-
EPJ D Topical Issue: Atoms and Molecules in a Confined Environment
-
EPJ D Topical Issue: Low Temperature Plasmas: Processes, Diagnostics and Applications
-
EPJ D Topical Issue: Quantum Aspects of Attoscience
-
EPJ D Topical Issue: Spectroscopy of biomolecular ions in vacuo
-
EPJ D Topical Issue: “Advances in Physics of Ionized Gases and Spectroscopy of Isolated Complex Systems: from Biomolecules to Space Particles" (2020)
-
EPJ E Special Issue: Diffusion and Convection in Nature
-
EPJ E Topical Issue: Physics and Geometry of Flexible Plates and Shells
-
EPJ E Topical Issue: Advances in Computational Methods for Biological Physics
-
EPJ E Topical Issue: Disordered, non-equilibrium systems: From supercooled liquids to amorphous solids
-
EPJ E Topical Issue: Physics of phase separation in cell biophysics: From non-equilibrium droplets to reaction-diffusion systems
-
EPJ E Topical Issue: Tissue Mechanics
-
EPJ N Topical Issue: Liquid-gas and liquid-vapour flows: theory, simulation and experiments
-
EPJ Plus Focus Point Issue: Breakthrough optics- and complex systems-based technologies of modulation of drainage and clearing functions of the brain
-
EPJ Quantum Technology: Special Issue on Quantum Industry
-
EPJ Quantum Technology: Special Issue on Quantum Metrology & Quantum Enhanced Measurement
-
EPJ ST Special Issue: Transport properties of non-Newtonian nanofluids and applications
-
EPJ ST Special Issue: Chaotic variable-order fractional neural networks
-
EPJ ST Special Issue: Circuit Application of Chaotic Systems: Modeling, Dynamical Analysis and Control
-
EPJ ST Special Issue: Complex Bio Rhythms
-
EPJ ST Special Issue: Intense laser-matter interaction in atoms, finite and condensed systems
-
EPJ ST Special Issue: Modeling, Machine Learning and Astronomy
-
EPJ ST Special Issue: Non-equilibrium phase transitions in heterogeneous systems: biophysical aspects
-
EPJ ST Special Issue: Strong Correlations in Dense Matter Physics
-
EPJ ST Special Issue: The Accelerating Universe – Evidence and Theories
-
EPJ ST Special Issue: Tipping in Complex Systems: Theory, Methods & Applications
-
EPJ Techniques and Instrumentation: Instrumentation and Control of Large Helium Cryogenic Systems
-
EPJ Techniques and Instumentation: Diagnostics for electric propulsion systems