Theoretical study of(e,2e) triple differential cross section of 1b3g orbital of ethylene by vibrational multi-center distorted-wave method

The vibrational motions are usually neglected when calculating(e,2e) triple differential cross sections(TDCSs) of molecules. Here, multi-center distorted-wave method(MCDW) has been modified by including molecular vibrations. This vibrational MCDW method is employed to calculate the TDCSs of 1b3gorbital of ethylene at low(100 eV) and medium(250 eV) incident electron energies in coplanar asymmetric kinematic condition. The results show that molecular vibrations significantly influence the angular distributions of the TDCSs, especially in the binary region along momentum transfer near the Bethe ridge.

Resonant Auger Scattering by Attosecond X-Ray Pulses

As x-ray probe pulses approach the subfemtosecond range,conventional x-ray photoelectron spectroscopy(XPS)is expected to experience a reduction in spectral resolution due to the effects of the pulse broadening.However,in the case of resonant x-ray photoemission,also known as resonant Auger scattering(RAS),the spectroscopic technique maintains spectral resolution when an x-ray pulse is precisely tuned to a core-excited state.We present theoretical simulations of XPS and RAS spectra on a showcased CO molecule using ultrashort x-ray pulses,revealing significantly enhanced resolution in the RAS spectra compared to XPS,even in the subfemtosecond regime.These findings provide a novel perspective on potential utilization of attosecond x-ray pulses,capitalizing on the well-established advantages of detecting electron signals for tracking electronic and molecular dynamics.

Theoretical study of (e,2e) triple differential cross sections of pyrimidine and tetrahydrofurfuryl alcohol molecules using multi-center distorted-wave method

We report theoretical studies of electron impact triple differential cross sections of two bio-molecules,pyrimidine and tetrahydrofurfuryl alcohol,in the coplanar asymmetric kinematic conditions with the impact energy of 250 eV and ejected electron energy of 20 eV at three scattering angles of-5°,-10°,and-15°.Present multi-center distorted-wave method well describes the experimental data,which was obtained by performing(e,2e)experiment.The calculations show that the secondary electron produced by the primary impact electron is strongly influenced by the molecular ionic multi-center potential,which must be considered when the low energy electron interacts with DNA analogues.