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Prof Jimena Gorfinkiel

Professor Of Computational Molecular Physics

School of Physical Sciences

jimena.gorfinkiel@open.ac.uk

Biography

Professional biography

 My research focusses on modelling molecular electronic processes initiated by electrons, positrons and photons involving the continuum using mainly R-matrix based software developed by my team and collaborators. For more information on my research, see: http://physics.open.ac.uk/~jdgorfinkiel/. I am Equality, diversity and inclusion Lead in the School of Physical Sciences at The Open University.

 

 

Projects

UK R-matrix Atomic, Molecular and Optical physics consortium

Achievement of Excellence in Electron Processes for Future Technologies

R-matrix suites for multielectron attosecond dynamics in atoms and molecules irradiated by arbitrarily polarised light

Publications

Book Chapter

Methods for electron–molecule scattering (2022)

A multiple-scattering approach to electron collisions with small molecular clusters (2012)

Journal Article

Fragmentation dynamics through geometrical distortion in low-energy electron attachment to carbon disulfide (2025)

Interatomic Coulombic electron capture beyond the virtual photon approximation (2024)

Virtual photon exchange vs electron transfer in interparticle Coulombic electron capture (2024)

UKRmol-scripts: A Perl-based system for the automated operation of the photoionization and electron/positron scattering suite UKRmol+ (2024)

Laser-Induced Electron Diffraction in Chiral Molecules (2024)

Resonances in electron scattering from H2 around the H(2l) + H−(1s2) dissociation limit (2024)

Resonant Fragmentation of the Water Cation by Electron Impact: a Wave‐Packet Study (2023)

Cover Feature: Resonant Fragmentation of the Water Cation by Electron Impact: a Wave‐Packet Study (ChemPhysChem 19/2023) (2023)

Analysis of RABITT time delays using the stationary multiphoton molecular R -matrix approach (2022)

R-matrix calculations for elastic electron and positron scattering from pyrazine: effect of the polarization description (2022)

Positron scattering from pyrazine (2021)

Electron attachment to a proton in water by interatomic Coulombic electron capture: An R-matrix study (2021)

Toward a description of electron-induced dissociative excitation in H$_2$O$^+$ : Investigation of three resonances above the B̃ state (2021)

Fano interferences in environment-enabled electron capture (2021)

Evaluation of Recommended Cross Sections for the Simulation of Electron Tracks in Water (2021)

Electron collisions with BeH2 below 20 eV (2020)

RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrödinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses (2020)

UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method (2020)

Resonances in molecules and molecular clusters (2020)

Perturbative and nonperturbative photoionization of H2 and H2O using the molecular ℝ-matrix-with-time method (2020)

A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV (2020)

Electron Collisions with Molecules and Molecular Clusters (2020)

Atomic and molecular suite of R-matrix codes for ultrafast dynamics in strong laser fields and electron/positron scattering (2020)

Photoionization of H2 using the molecular R-matrix with time approach (2020)

Quantemol Electron Collisions (QEC): An Enhanced Expert System for Performing Electron Molecule Collision Calculations Using the R-Matrix Method (2019)

reskit: a toolkit to determine the poles of an S-matrix (2019)

Shape and core-excited resonances in electron scattering from alanine (2019)

Interatomic Coulombic electron capture from first principles (2018)

Cross sections for electron scattering from thiophene for a broad energy range (2018)

Shape and Core-Excited Resonances in Thiophene (2018)

Total electron scattering cross sections from thiophene for the (1-300 eV) impact energy range (2018)

Theoretical study of resonance formation in microhydrated molecules. I. Pyridine-(H2O)n, n = 1,2,3,5 (2017)

Theoretical study of resonance formation in microhydrated molecules. II. Thymine-(H2O)n, n = 1,2,3,5 (2017)

Electron scattering from molecules and molecular aggregates of biological relevance (2017)

Resonances in low-energy electron scattering from para-benzoquinone (2017)

On the computations of interatomic Coulombic decay widths with R-matrix method (2017)

Effect of the third π∗ resonance on the angular distributions for electron-pyrimidine scattering (2016)

Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine (2016)

Resonance effects in elastic cross sections for electron scattering on pyrimidine: Experiment and theory (2016)

Absolute cross sections for electronic excitation of pyrimidine by electron impact (2016)

The role of multichannel effects in the photoionization of the NO2 molecule: an ab initio R- matrix study (2015)

Electron scattering from pyridine (2014)

Resonance formation in low energy electron scattering from uracil (2014)

Towards an accurate representation of the continuum in calculations of electron, positron and laser field interactions with molecules (2014)

Recent progress in electron scattering from atoms and molecules (2014)

Electron scattering cross section calculations for polar molecules over a broad energy range (2014)

Cross-section calculations for positron scattering from pyrimidine over an energy range from 0.1 to 10000 eV (2013)

An investigation into electron scattering from pyrazine at intermediate and high energies (2013)

A joint theoretical and experimental study for elastic electron scattering from 1,4-dioxane (2013)

Shape and core excited resonances in electron collisions with diazines (2012)

Elastic and inelastic cross sections for low-energy electron collisions with pyrimidine (2012)

Electron attachment to molecules in a cluster environment (2012)

UKRmol: a low-energy electron- and positron-molecule scattering suite (2012)

Elastic and inelastic low-energy electron collisions with pyrazine (2011)

Multiple scattering approach to elastic electron collisions with molecular clusters (2009)

Energy deposition model based on electron scattering cross section data from water molecules (2008)

Multiple scattering approach to elastic low-energy electron collisions with the water dimer (2008)

Low and intermediate energy electron collisions with the C−2 molecular anion (2008)

Electron scattering cross sections and stopping powers in H2 (2007)

Electron-scattering cross sections and stopping powers in H2O (2007)

Adapting gas-phase electron scattering R-matrix calculations to a condensed-matter environment (2007)

Low-energy electron collisions with methanol (2007)

Low-energy electron collisions with tetrahydrofuran (2006)

Low-energy electron collisions with C2 using the R-matrix method (2006)

Electron impact ionization of small molecules at intermediate energies: the molecular R-matrix with pseudostates method (2005)

Low-energy electron collisions with water: elastic and rotationally inelastic scattering (2004)

Electron-impact rotational excitation of water (2004)

Electron impact dissociative excitation of water within the adiabatic nuclei approximation (2002)

Other

Attosecond Chemistry Special Issue (2024)

Presentation / Conference

Atomic and Molecular Scattering Applications in an Apache Airavata Science Gateway (2020)