In: The Journal of Chemical Physics, 2015, vol. 142, no. 14, p. 144312
We report a very detailed test of the ab initio discrete momentum representation (DMR) method of calculating vibrational excitation of polyatomic molecules by electron impact, by comparison of its results with an extensive set of experimental data, covering the entire range of scattering angles from 10∘ to 180∘ and electron energies from 0.4 to 20 eV. The DMR calculations were carried out by...
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In: Physical Review A - Atomic, Molecular and Optical Physics, 2012, vol. 86, no. 6, p. 062709
The discrete-momentum-representation theory with short-range correlation and polarization approximated by local-density-functional theory has been augmented by connecting the short-range potential to an asymptotic polarization tensor. The capacity of this theory to correctly describe the coupling of a free electron with nuclear motion is tested by a detailed comparison of calculated and measured...
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In: The Journal of Physical Chemistry A, 2014, vol. 118, no. 41, p. 9734–9744
We have measured and calculated differential and integral cross sections for elastic and vibrationally inelastic electron scattering by diacetylene molecules at electron energies from 0.5 to 20 eV in the whole range of scattering angles from 0 to 180°. The calculations were carried out using the discrete momentum representation method (DMR), which is based on the two-channel Lippmann–Schwinger...
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In: Physical Chemistry Chemical Physics, 2011, vol. 13, p. 20939-20945
Singlet and triplet excited states of trans-azobenzene have been measured in the gas phase by electron energy loss spectroscopy (EELS). In order to interpret the strongly overlapping singlet and triplet bands in the spectra a set of large-scale correlated quantum Monte-Carlo (QMC) simulations was performed. The EELS/QMC combination of methods yields an excellent agreement between theory and...
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In: Physical Review A, 2005, vol. 71, p. 022712-22721
Cross sections at low energies for vibrationally elastic and inelastic scattering, as well as electron attachment to SF₆, have been calculated using a multichannel effective range theory (ERT) with complex boundary conditions. The most active vibrational modes, the totally symmetric mode ν1 and the infrared active mode ν3, have been included in the calculation. The ERT parameters were fitted...
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In: Physical Review A, 2008, vol. 78, p. 032701
We have measured absolute dissociative electron attachment cross sections for HX and DX (X=Cl and Br) using a trochoidal electron spectrometer equipped with a total ion collection collision chamber, operated both in a field-free passive ion collection mode, and an active ion collection mode, with an extracting electric field. Our results for Br⁻ from HBr are in an excellent...
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In: Physical Review A, 2008, vol. 78, no. 1, p. 012712
Combining a laser photoelectron source with a triply differentially pumped supersonic beam target and several electron multipliers for simultaneous detection of electrons elastically scattered into the angles 22.5°, 45°, 90°, 112.5°, and 135° and of metastable atoms due to inelastic scattering, we have carried out an improved study of electron-argon scattering over the energy range...
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In: The Journal of Physical Chemistry A, 2010, vol. 114, no. 3, p. 1474–1484
Results from a joint experimental study of electron attachment to dichlorodifluoromethane (CCl₂F₂) molecules in the gas phase are reported. In a high resolution electron beam experiment involving two versions of the laser photoelectron attachment method, the relative cross section for formation of the dominant anion Cl⁻ was measured over the energy range 0.001−1.8 eV at the gas...
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In: Journal of Physics B: Atomic, Molecular and Optical Physics, 2008, vol. 41, no. 9, p. 195202
Energy-dependent absolute angle-differential cross sections (θ = 135°) for elastic and vibrationally inelastic electron scattering from OCS molecules have been investigated at high resolution (13 meV). The elastic cross section, reported over the range E= 0.06–20 eV, exhibits a deep Ramsauer–Townsend minimum near 0.55 eV and the π*(1.2 eV) and σ*(3.8 eV) resonances known from...
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In: Journal of Physics B, 2009, vol. 42, no. 21, p. 215202
Using two different experimental setups with energy widths of about 6 and 13 meV, we obtained significantly improved results for the energy dependence of angle-differential (10°–180°) elastic and vibrationally inelastic cross sections for electron scattering from N₂ molecules in the energy range around the narrow N⁻₂(R²Σ⁺g) resonance. The energy location and the natural...
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