Refereed Publications

  1. A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV
    F. Costa, A. Traoré-Dubuis, L. Álvarez, A. I. Lozano, X. Ren, A. Dorn, P. Limao-Vieira, F. Blanco, J. C. Oller, A. Munoz, A. García-Abenza, J. D. Gorfinkiel, A. S. Souza, M. H. F. Bettega, P. Stokes, R. White, D. B. Jones, M. J. Brunger and G. Garcia, International Journal of Molecular Sciences, 21, 6947 (2020) Access here
  2. A Science Gateway for Atomic and Molecular Physics
    B.I. Schneider, K. Bartschat, O. Zatsarinny, I. Bray, A. Scrinzi, F. Martin, M. Klinker, J. Tennyson, S. Pamidighantam and J.D. Gorfinkiel (PEARC19: Proceedings of the Practice and Experience in Advanced Research Computing 2020) Preprint
  3. Electron collisions with BeH2 below 20 eV
    Ivan Sukuba and Jimena D. Gorfinkiel, PRA 101, 052709 (2020)
  4. Resonances in molecules and molecular clusters
    J. D. Gorfinkiel, Journal of Physics: Conference Series, 1412, 052003 (2020) Access here
  5. Electron Collisions with Molecules and Molecular Clusters
    J. D. Gorfinkiel, EPJD, 74, 51 (2020) Access here
  6. UKRmol+: a suite for modelling of electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method
    Zdenek Masin, Jakub Benda, Jimena D. Gorfinkiel, Alex G. Harvey, Jonathan Tennyson, CPC, 249, 107092 (2020).
  7. Preprint
  8. RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses
    Andrew Brown, Greg Armstrong, Jakub Benda, Daniel D. A. Clarke, Jack Wragg, Kathryn R. Hamilton, Zdenek Masin, Jimena D. Gorfinkiel, Hugo van der Hart, Comp. Phys. Comm.,250, 107062 (2020).
  9. Preprint
  10. Quantemol Electron Collisions (QEC): an enhanced expert system
    Bridgette Cooper, Maria Tudorovskaya, Sebastian Mohr, Aran O'Hare, Martin Hanicinec, Anna Dzarasova, Jimena Gorfinkiel, Jakub Benda, Zdenek Masin, Ahmed Al-Refaie, Peter Knowles, Jonathan Tennyson, Atoms, 7, 97 (2019)
  11. reskit: a toolkit to determine the poles of an S-matrix
    P.S. Bingham and J. D. Gorfinkiel, Comp. Phys. Comm.,239, 272 (2019)
  12. Shape and core-excited resonances in electron scattering from alanine
    A. Loupas and J. D. Gorfinkiel, J. Chem. Phys., 150, 064307 (2019)
  13. Total electron scattering cross sections from thiophene for the (1-300 eV) impact energy range
    A.I. Lozano, A. Loupas, F. Blanco, J. D. Gorfinkiel and G. Garcia, J. Chem. Phys., 149, 134303 (2018)
  14. Interatomic Coulombic electron capture from first principles
    Nicolas Sisourat, Tsveta Miteva, Jimena D. Gorfinkiel, Kirill Gokhberg and Lorenz S. Cederbaum, Phys. Rev. A, 98, 020701(R) (2018)
  15. Cross sections for electron scattering from thiophene for a broad energy range
    A. Loupas, A.I. Lozano, F. Blanco, J. D. Gorfinkiel and G. Garcia, J. Chem. Phys., 149, 034304 (2018)
  16. Shape and core-excited resonances in thiophene
    A. Loupas, K. Regeta, M. Allan and J. D. Gorfinkiel, J. Phys. Chem. A, 122, 1146 (2018)
  17. Electron scattering from molecules and molecular aggregates of biological relevance
    J. D. Gorfinkiel and S. Ptasinska, J. Phys. B, 50, 182001 (2017)
  18. Theoretical study of resonance formation in microhydrated molecules (II): thymine-(H$_2$O)$_n$, n=1,2,3,5
    A. Sieradzka and J. D. Gorfinkiel, J. Chem. Phys., 147, 034302 (2017)
  19. Theoretical study of resonance formation in microhydrated molecules (I): pyridine-(H$_2$O)$_n$, n=1,2,3,5
    A. Sieradzka and J. D. Gorfinkiel, J. Chem. Phys., 147, 034303 (2017)
  20. Resonances in low-energy electron scattering from para-Benzoquinone
    A. Loupas and J. D. Gorfinkiel, PCCP, 19, 18252 (2017) Selected as one of 2017 PCCP HOT Articles
  21. On the computations of interatomic Coulombic decay widths with R-matrix method
    Nicolas Sisourat, Selma Engin, Jimena D. Gorfinkiel, Sevan Kazandjian, Premysl Kolorenc and Tsveta Miteva, J. Chem. Phys., 146, 244109 (2017)
  22. 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
    M. Allan, K. Regeta, J. D. Gorfinkiel, Z. Masin, Stefan Grimme and Christoph Bannwarth, EPJD, 70, 123 (2016)
  23. Effect of the third $\pi^*$ resonance on the angular distributions for electron-pyrimidine scattering
    Z. Masin and J. D. Gorfinkiel, EPJD, 70, 151 (2016)
  24. Absolute cross sections for electronic excitation of pyrimidine by electron impact
    K. Regeta, M. Allan, Z. Masin and J. D. Gorfinkiel, J. Chem. Phys., 144, 024302 (2016)
  25. Resonance effects in elastic cross sections for electron scattering from pyrimidine: experiment and theory
    K. Regeta, M. Allan, C. Winstead, V.McKoy, Z. Masin and J. D. Gorfinkiel, J. Chem. Phys., 144, 024301 (2016)
  26. The role of multichannel effects in the photoionization of the NO2 molecule: an ab initio R-Matrix study
    D. Brambila, A. G. Harvey, Z. Mašín, J. D. Gorfinkiel and O. Smirnova, J. Phys. B, 48, 245101 (2015).
  27. Electron Scattering from Pyridine
    A. Sieradzka, F. Blanco, M. Fuss, Z. Mašín, J. D. Gorfinkieland G. Garcia, J. Phys. Chem. A, 118, 6657 (2014).
  28. Resonance formation in low energy electron scattering from uracil
    Z. Mašín and J. D. Gorfinkiel, EPJD, 68, 112 (2014).
  29. Towards accurate representation of the continuum in calculations of electron and positron-molecule collisions and molecular processes in intense laser fields
    Z. Mašín and J. D. Gorfinkiel, Journal of Physics: Conference Series, 01209, 490 (2014)
  30. Recent progress in electron scattering from atoms and molecules
    M. J. Brunger, S. J. Buckman, J. P. Sullivan, P. Palihawadana, D. B. Jones, L. Chiari, Z. Pettifer, G. B. da Silva, M. C. A. Lopes, H. V. Duque, Z. Masin, J. D. Gorfinkiel, G. Garcia, M. Hoshino, H. Tanaka, and P. Limão-Vieira, AIP Conf. Proc., 1588, 71 (2014).
  31. Electron scattering cross section calculations for polar molecules over a broad energy range
    A. G. Sanz, M. C. Fuss, F. Blanco, Z. Masin, J. D. Gorfinkiel, F. Carelli, F. Sebastianelli, F.A. Gianturco and G. Garcia, Appl. Radiat. Isot., 83, 57 (2014).
  32. Cross section calculations for positron scattering from pyrimidine over a broad energy range (0.1-10000 eV)
    A. G. Sanz, M. C. Fuss, F. Blanco, Z. Masin, J. D. Gorfinkiel, M. J. Brunger and G. Garcia, Phys. Rev. A, 88, 062704 (2013)
  33. An investigation into electron scattering from pyrazine at intermediate and high energies
    A. G. Sanz, Martina Fuss, Francisco Blanco, J. D. Gorfinkiel, Diogo Almeida, Filipe Ferreira da Silva, Paulo Limao Vieira, Michael Brunger, and Gustavo Garcia, J. Chem. Phys., 139, 184310 (2013)
  34. A joint theoretical and experimental study for elastic electron scattering from 1,4-dioxane
    P. Palihawadana, J. Sullivan, S. Buckman, Z. Masin, J. D. Gorfinkiel, F. Blanco, G. Garcia, and M. J. Brunger, J. Chem. Phys.,139, 014308 (2013)
  35. Shape and core excited resonances in electron collisions with diazines
    Z. Mašín and J. D. Gorfinkiel, J. Chem. Phys.,137, 204312 (2012)
  36. Elastic and inelastic cross sections for low-energy electron collisions with pyrimidine
    Z. Mašín, J. D. Gorfinkiel, Darryl B. Jones, Susan M. Bellm and Michael J. Brunger, J. Chem. Phys.,136, 144310 (2012)
  37. Electron attachment to molecules in a cluster environment
    Ilya Fabrikant, Stefano Caprasecca, G.A. Gallup, and Jimena Gorfinkiel, J. Chem. Phys.,136, 184301 (2012)
  38. UKRmol: a low-energy electron- and positron-molecule scattering suite
    J. M. Carr, P. G. Galiatsatos, J. D. Gorfinkiel, A.G. Harvey, M. A. Lysaght, D. Madden, Z. Mašín, M. Plummer, J. Tennyson and H. N. Varambhia, Eur. Phys. J D, 58, 66 (2012)
  39. Elastic and inelastic low energy electron collisions with pyrazine
    Z. Mašín and J. D. Gorfinkiel, J. Chem. Phys.,135, 144308 (2011)
  40. Multiple scattering approach to elastic electron collisions with molecular clusters
    S. Caprasecca, J. D. Gorfinkiel, D. Bouchiha and L. G. Caron J. Phys. B, 42 095205 (2009)
  41. Energy deposition model based on electron scattering cross section data from water molecules
    A. Muñoz, J. C. Oiler, F. Blanco, J. D. Gorfinkiel, P. Limão-Vieira, A. Maira-Vidal, M. J. G Borge, O. Tengblad, C. Huerga, M. Tellez and G. García J. Phys: Conf. Ser., 133, 012002 (2008)
  42. Low and intermediate energy electron collisions with the C2- molecular anion
    G. Halmova, J. D. Gorfinkiel and J. Tennyson J. Phys. B, 41, 155201 (2008))
  43. Multiple scattering approach to elastic low-energy electron collisions with water dimer
    D. Bouchiha, J. D. Gorfinkiel, L. G. Caron and L. Sanche J. Phys. B, 41, 045204 (2008))
  44. Electron-scattering cross sections and stopping powers in H2O
    A. Muñoz, J. C. Oller, F. Blanco, J. D. Gorfinkiel, P. Limão-Vieira and G. García Phys. Rev. A, 76, 052707 (2007)
  45. Adapting gas-phase electron scattering R-matrix calculations to a condensed-matter environment
    L. G. Caron, D. Bouchiha, J. D. Gorfinkiel and L. Sanche Phys. Rev. A 76, 032716 (2007)
  46. Low-energy electron collisions with methanol
    D. Bouchiha, J. D. Gorfinkiel, L. G. Caron and L. Sanche J. Phys. B 40, 1259 (2007)
  47. Electron scattering cross sections and stopping powers in H2
    A. Muñoz, J. C. Oller, F. Blanco, J. D. Gorfinkiel and G. García Chem. Phys. Lett 433, 253 (2007)
  48. Low-energy electron collisions with C2 using the R-matrix method
    G. Halmova, J. D. Gorfinkiel and J. Tennyson J. Phys. B 39, 2849 (2006)
  49. Low-energy electron collisions with tetrahydrofuran
    D. Bouchiha, J. D. Gorfinkiel, L. G. Caron and L. Sanche, J. Phys. B 39, 975 (2006)
  50. Electron-molecule collisions at low and intermediate energies using the R-matrix method
    J. D. Gorfinkiel, A. Faure, S. Taioli, C. Piccarreta, G. Halmova and J. Tennyson, Eur. Phys. J D , 35, 231 (2005)
  51. Electron impact ionisation of small molecules at intermediate energies: the R-matrix with pseudostates method
    Jimena D. Gorfinkiel and Jonathan Tennyson J. Phys. B 38, 1607 (2005)
  52. Electron-H3+ collisions at intermediate energies
    Jimena D. Gorfinkiel and Jonathan Tennyson J. Phys. B 37, L343 (2004)
  53. Low-energy electron collisions with water: elastic and rotationally inelastic scattering
    A. Faure, Jimena D. Gorfinkiel and Jonathan Tennyson J. Phys. B 37, 801 (2004)
  54. Electron-impact rotational excitation rates for the water molecule
    A. Faure, Jimena D. Gorfinkiel and Jonathan Tennyson Mon. Not. R. Astron. Soc. 347, 323 (2004)
  55. Electron molecule collisions calculations using the R-matrix method
    J. Tennyson, J. D. Gorfinkiel, I. Rozum, C. S. Trevisan and N Vinci Radiation Phys. Chem. 68, 65-72 (2003)
  56. Electron impact dissociative excitation of water within the adiabatic nuclei approximation
    Jimena D. Gorfinkiel, Lesley A. Morgan and Jonathan Tennyson J. Phys. B 35, 543 (2002)
  57. GTOBAS: fitting continuum functions with Gaussian-type orbitals
    Alexandre Faure, Jimena D. Gorfinkiel, Lesley A. Morgan, Jonathan Tennyson Computer Physics Communications 144, 224 (2002)
  58. Novel model potential treatment of charge transfer cross sections in C4+ and N5+ collisions with H2
    L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin,A. Macías, L. Méndez, B. Pons, A. Riera and P. Sanz Phys. Scripta T92, 373 (2001)
  59. Calculations of charge transfer and ionisation cross sections in ion-H2(D2,DT,T2) collisions
    D. Elizaga, L. F. Errea, J. D. Gorfinkiel, C. Illescas, A. Macías, L. Méndez, I. Rabadan, A. Riera, A. Rojas and P. Sanz Atomic and Plasma-Material Interaction Data for Fusion, V-9 167-178 (2001)
  60. Vibrationally resolved charge transfer and ionisation cross sections for ion-H2(D2,DT,T2) collisions
    D. Elizaga, L. F. Errea, J. D. Gorfinkiel, C. Illescas, A. Macías, L. Méndez, I. Rabadan, A. Riera, A. Rojas and P. Sanz Atomic and Plasma-Material Interaction Data for Fusion, V-10 (2001)
  61. Ab initio study of collisions between Li+ or H+ ions and H2 (D2, DT, T2) molecules
    D. Elizaga, L. F. Errea, J. D. Gorfinkiel, A. Macías, L. Méndez, A. Riera and A. Rojas J. Phys. B 33, 2037 (2000)
  62. Model potential treatment of C4+ +H2 collisions at low impact energies
    L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin, A. Macías, L. Méndez, B. Pons and A. Riera J. Phys. B 33, 3107 (2000)
  63. Theoretical analysis of electron capture and electron loss in Be4+ + H2 and H+ + H2 collisions
    R. M. Dreizler, D. Elizaga, L. F. Errea, J. D. Gorfinkiel, C. Illescas, T. Kirchner, O.J. Kroneisen, H. J. Ludde, A. Macías, L. Méndez, A. Riera and A. Rojas J. Phys. B 32, 857 (1999)
  64. Ab initio calculation of charge transfer cross sections in C4+ + H2 collisions
    L. F. Errea, J. D. Gorfinkiel, A. Macías, L. Méndez and A. Riera J. Phys. B 32, 1705 (1999)
  65. Charge transfer and dissociation in Cq+ + H2 collisions
    L. F. Errea, J. D. Gorfinkiel, A. Macías, L. Méndez and A. Riera Phys. Scripta T80, 185 (1999)
  66. Molecular Calculation of charge transfer cross sections in Cq+ + H collisions
    L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin, A. Macías, L. Méndez, B. Pons and A. Riera J. Phys. B 32, L673 (1999)
  67. Molecular treatment of charge transfer in Be4+ +H2 collisions
    A. Macías, L. F. Errea, J. D. Gorfinkiel, L. Méndez and A. Riera J. Mol. Struct. (Theochem), 433 169-178, (1998)
  68. Ab initio potential energy surfaces and nonadiabatic couplings involved in Be4+ + H2 electron rearrangement
    L. F. Errea, J. D Gorfinkiel, E. S. Kryachko, A. Macías, L. Méndez and A. Riera J. Chem. Phys. 106, 172 (1997)
  69. Implementation of the sudden approximation eikonal method in ion-diatom collisions
    L. F. Errea, J. D. Gorfinkiel, A. Macías, L. Méndez and A. Riera J. Phys. B 30, 3855 (1997)
  70. Total and partial cross sections of electron transfer processes with hydrogen gas target: Be4+, Be5+ + H(1s,2s)
    L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin, A. Macías, L. Méndez and A. Riera Phys. Scripta T62, 27 (1996)
  71. Total and partial cross sections of electron transfer processes with hydrogen gas target: Be4+, + H2
    L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin, A. Macías, L. Méndez and A. Riera Phys. Scripta T62, 33 (1996)

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