Competition among molecular fragmentation channels described with Siegert channel pseudostates

Abstract

To describe multiple interacting fragmentation continua, we develop a method in which the vibrational channel functions obey outgoing wave Siegert boundary conditions. This paper demonstrates the utility of the Siegert approach, which uses channel energy eigenvalues that possess a negative imaginary part. The electron scattering energy in each such channel is rotated upward, giving it an equal and opposite imaginary part. This permits a natural inclusion of vibrational continua without requiring them to appear as explicit channels in the scattering matrix. Calculations illustrate the application of this theory to photoionization, photodissociation, and dissociative recombination.

Four pages, with 3 figures, submitted to PRL

Cited by in corpus (15)

• Indirect Dissociative Recombination of LiH${}^{+}$ Molecules Fueled by Complex Resonance Manifolds
• Siegert pseudostates: completeness and time evolution
• Near threshold rotational excitation of molecular ions by electron-impact
• Photofragmentation of the H_3 molecule, including Jahn-Teller coupling effects
• Dissociative recombination of cold HeH${}^{+}$ ions
• Inelastic low-energy collisions of electrons with HeH${}^{+}$: rovibrational excitation and dissociative recombination
• ab initio frame transformation calculations of direct and indirect dissociative recombination rates of HeH+ + e-
• Bound states of dipolar molecules studied with the Berggren expansion method
• Unified treatment of resonant and non-resonant mechanisms in dissociative recombination: benchmark study of CH${}^{+}$
• Energy-dependent frame transformation theory for dissociative recombination
• Dissociative recombination by frame transformation to Siegert pseudostates: A~comparison with a numerically solvable model
• Kinetic rate coefficients for electron-driven collisions with CH${}^{+}$: dissociative recombination and rovibronic excitation
• Indirect dissociative recombination of LiH${}_2^{+}$ + e${}^{-}$
• Heat capacity of a two-component superfluid Fermi gas
• Estimates of rates for dissociative recombination of NO${}_2^{+}$ + e${}^{-}$ via various mechanisms