Cross sections for the electron-impact excitations Ã1B1 and B̃1

Vibronic effect study of 1A2 state of H2O and D2O

“…Therefore, a complex fitting procedure was previously used to derive its dynamic parameters such as the DCSs and GOSs. [17,28] Although all experimental and theoretical GOS profiles of H 2 O and D 2 O are in consistent, [17,28] while the absolute scales show apparent discrepancies. In this work, we will elucidate this difference with the time dependent density functional theory (TDDFT) simulation [7,29,30] by taking into account the vibronic effect.…”

“…The 1 A 2 states of H 2 O and D 2 O were noticed in the electron energy loss spectra at the impact electron energies of 100 eV-200 eV, [25] 300 eV-500 eV, [27] and 1500 eV. [17,28] It should be pointed out that the 1 A 2 has a large line width and is heavily overlapped with the strong dipole-allowed dissociative state of B1 A 1 , so it is masked by B1 A 1 and can not be clearly resolved in the measured spectra. Therefore, a complex fitting procedure was previously used to derive its dynamic parameters such as the DCSs and GOSs.…”

“…Electron collision cross sections of H 2 O and its isotopic substitutions are of great importance in many fields, such as atmosphere physics, astrophysics, radiation biology and medicine. [10][11][12][13][14][15][16] For example, the electronic excitation by electron collision is the main energy deposition channel [15][16][17] for radiation damage of biological tissues with H 2 O as the main component, so the electronic excitation cross sections of H 2 O and its isotopes are crucial for radiation damage simulation in biological tissues. Although electron collisional excitation cross sections for the low electronic states of H 2 O have been extensively studied both theoretically [17][18][19][20] and experimentally, [17,[21][22][23][24][25][26] the influence of the vibronic effect on them has not been considered while it has great influence on other molecules.…”

“…[10][11][12][13][14][15][16] For example, the electronic excitation by electron collision is the main energy deposition channel [15][16][17] for radiation damage of biological tissues with H 2 O as the main component, so the electronic excitation cross sections of H 2 O and its isotopes are crucial for radiation damage simulation in biological tissues. Although electron collisional excitation cross sections for the low electronic states of H 2 O have been extensively studied both theoretically [17][18][19][20] and experimentally, [17,[21][22][23][24][25][26] the influence of the vibronic effect on them has not been considered while it has great influence on other molecules. [1][2][3][4][5][6][7][8][9] This paper focuses on the vibronic effect and isotopic effects of the dipole-forbidden transition 1 A 2 of H 2 O and D 2 O, and according to the previous investigations, [1][2][3][4][5][6][7][8][9] the vibronic effect on this transition should be prominent.…”

Total Cross Sections for Electron and Positron Scattering on Molecules: In Search of the Dispersion Relation

“…A modified version of BEB is also used to predict electronic excitation cross sections [32]. The input for this model is the optical oscillator strength that can be deduced from experimental zero-angle DCS for electronic excitations [33] at high (i.e., "Born", see reference [34]) energies.…”