Electron-impact ionization ofLi2andLi2+

Electron-impact ionization of Li2using a time-dependent close-coupling method

“…On the other hand, the P 2s0 (r,θ ) radial and angular orbital taken directly from a molecular structure calculation [11,12] interpolated onto a r = 0.10-0.30 variable radial and θ = π 64 angular mesh has a mean radius r = 3.89, making it somewhat harder to ionize. We note that the binary encounter Bethe results reported in previous work [14] had a peak cross section of 920 Mb around an incident energy of 20.0 eV.…”

“…where ρ(r,θ ) = 2P 2 1s0 (r,θ ) + 2P 2 2p0 (r,θ ) + P 2 2s0 (r,θ ) 2πr 2 sin θ (14) and the P 1s0 (r,θ ), P 2p0 (r,θ ), and P 2s0 (r,θ ) bound radial and angular orbitals are found from a molecular structure calculation [11,12] for Li 2 + (1sσ 2 2pσ 2 2sσ ) at the equilibrium internuclear distance of R = 5.0 for Li 2 (1sσ 2 2pσ 2 2sσ 2 ). Diagonalization of the m = 0 Hamiltonian of Eq.…”

“…In previous work [14], we reported CADW calculations for the electron-impact ionization of Li 2 . The calculations were carried out on a r = 0.10-0.30 variable radial and θ = π 64 angular mesh.…”

Electron-impact ionization of C2

“…where K(r, θ) is a variable mesh kinetic energy operator [18] and V CF (r, θ ) is a centrifugal potential [11]. The nuclear potential is given by…”

“…Our next CADW calculations [14] for H 2 , using multichannel normalization on a constant radial mesh, produced cross sections 30% higher than R-matrix with pseudo-states [15], time-dependent close-coupling [16] and experimental [17] results. Our most recent CADW calculations [18] for Li 2 and Li + 2 , using multi-channel normalization on a variable radial mesh, await comparison with future nonperturbative theoretical and experimental results. We apply the latest CADW method, with multi-channel normalization on a variable mesh, to make the first ab initio fully quantal calculations for the total ionization cross section of C 2 at its equilibrium internuclear separation.…”