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A. Muñoz, J. C. Oller, F. Blanco, J. D. Gorfinkiel, P. Limão-Vieira, and G. García Centro de Investigaciones Energéticas, Medioambientales y Tecnológicas (CIEMAT), Avenida Complutense 22, 28040… (More)

We revisit our multiple-scattering method to treat low energy elastic electron collisions with (H2O)2. Calculations are performed for different geometries of the water dimer with different dipole… (More)

Multiple scattering theory is applied to low-energy electr on collisions with a complex target formed of two molecular scatterers. The tota l T-matrix is expressed in terms of the T-matrix for each… (More)

GTOBAS is a program for fitting Gaussian-type orbitals (GTOs) to Bessel and Coulomb functions over a finite range. The exponents of the GTOs are optimized using the method of Nestmann and Peyerimhoff… (More)

- Michael A. Allan, Khrystyna Regeta, Jimena D Gorfinkiel, Zdeněk Maš́ın, Stefan Grimme, Christoph Bannwarth
- 2016

The article briefly reviews three subjects recently investigated in Fribourg: (i) electron collisions with surfaces of ionic liquids, (ii) two-dimensional (2D) electron energy loss spectra and (iii)… (More)

- Joanne M. Carr, Panagis Galiatsatos, +7 authors H. N. Varambhia
- 2012

We describe the UK computational implementation of the R-matrix method for the treatment of electron and positron scattering from molecules. Recent developments in the UKRmol suite are detailed… (More)

- Khrystyna Regeta, Michael A. Allan, Zdeněk Mašín, Jimena D Gorfinkiel
- The Journal of chemical physics
- 2016

We measured differential cross sections for electron-impact electronic excitation of pyrimidine, both as a function of electron energy up to 18 eV, and of scattering angle up to 180°. The emphasis of… (More)

- Agnieszka Sieradzka, Francisco Blanco, Martina C. Fuss, Zdeněk Mašín, Jimena D Gorfinkiel, Gustavo Mora García
- The journal of physical chemistry. A
- 2014

We have calculated cross sections for elastic and inelastic electron scattering from pyridine in the energy range 1 eV to 1 keV. The R-matrix and IAM-SCAR methods have been used for low and higher… (More)

- Alexandra Loupas, Ana I Lozano, Francisco J Blanco, Jimena D Gorfinkiel, Gustavo Garcia
- The Journal of chemical physics
- 2018

We present cross sections for elastic and inelastic electron scattering from thiophene calculated in the energy range 0.1-1000 eV. The R-matrix and independent atom representation-screening-corrected… (More)