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Université de Fribourg

Coupling of electronic and nuclear motion in a negative ion resonance: Experimental and theoretical study of benzene

Allan, Michael ; Čurík, Roman ; Čársky, Petr

In: The Journal of Chemical Physics, 2019, vol. 151, no. 6, p. 064119

We present calculated and measured elastic and vibrational excitation cross sections in benzene with the objective to assess the reliability of the theoretical method and to shed more light on how the electronic motion of the incoming electron is coupled with the nuclear motion of the vibrations. The calculation employed the discrete momentum representation method which involves solving the...

Université de Fribourg

Dissociative electron attachment and electronic excitation in Fe(CO)5

Allan, Michael ; Lacko, M. ; Papp, P. ; Matejčík, Š. ; Zlatar, Matija ; Fabrikant, Ilya I. ; Kočišek, J. ; Fedor, Juraj

In: Physical Chemistry Chemical Physics, 2018, vol. 20, no. 17, p. 11692–11701

In a combined experimental and theoretical study we characterize dissociative electron attachment (DEA) to, and electronically excited states of, Fe(CO)5. Both are relevant for electron-induced degradation of Fe(CO)5. The strongest DEA channel is cleavage of one metal–ligand bond that leads to production of Fe(CO)4−. High- resolution spectra of Fe(CO)4− reveal fine structures at the...

Université de Fribourg

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

Allan, Michael ; Regeta, Khrystyna ; Gorfinkiel, Jimena D. ; Mašín, Zdeněk ; Grimme, Stefan ; Bannwarth, Christoph

In: The European Physical Journal D, 2016, vol. 70, no. 5, p. 1–7

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) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet...

Université de Fribourg

Extended mean field study of complex φ4-theory at finite density and temperature

Akerlund, Oscar ; Forcrand, Philippe de ; Georges, Antoine ; Werner, Philipp

In: Physical Review D, 2014, vol. 90, no. 6, p. 065008

We review the extended mean field theory (EMFT) approximation and apply it to complex, scalar φ4 theory on the lattice. We study the critical properties of the Bose condensation driven by a nonzero chemical potential μ at both zero and nonzero temperature and determine the (T,μ) phase diagram. The results are in very good agreement with recent Monte Carlo data for all parameter values...

Université de Fribourg

Dynamical mean field approximation applied to quantum field theory

Akerlund, Oscar ; Forcrand, Philippe de ; Georges, Antoine ; Werner, Philipp

In: Physical Review D, 2013, vol. 88, no. 12, p. 125006

We apply the dynamical mean field theory (DMFT) approximation to the real, scalar φ4 quantum field theory. By comparing to lattice Monte Carlo calculations, perturbation theory and standard mean field theory, we test the quality of the approximation in two, three, four and five dimensions. The quantities considered in these tests are the critical coupling for the transition to the ordered phase...

Université de Fribourg

Selectivity in the excitation of Fermi-coupled vibrations in CO₂ by impact of slow electrons

Allan, Michael

In: Physical Review Letters, 2001, vol. 87, no. 3, p. 033201

Improvement of resolution of a gas phase hemispherical electron spectrometer (to 7 meV FWHM) permitted separate measurements of the excitation of each member of the well known Fermi dyad in CO₂ by impact of slow electrons. Absolute differential cross sections at a scattering angle of 135° were measured as a function of electron energy. The excitation was found to be highly selective both via...

Université de Fribourg

Transitions between the ²Π₁͵₂ and ²Π₁͵₃ spin-orbit components of NO induced by impact of slow electrons

Allan, Michael

In: Physical Review Letters, 2004, vol. 93, p. 063201-63204

The electron impact cross section for the transition between the ²Π₁͵₂ and ²Π₁͵₃ spin-orbit components of the ground electronic term of nitric oxide, separated by 15 meV, has been measured as a function of electron energy at a scattering angle of Θ= 135°. It is dominated by the ³Σ⁻ and the ¹Δ resonances. Its magnitude is very large, at peak about equal to that of the elastic...