Breaking bonds with electrons: Dissociative recombination of molecular ions
Abbreviated Journal Title
Chem. Phys. Lett.
QUANTUM-DEFECT THEORY; POTENTIAL-ENERGY SURFACE; TEMPERATURE-DEPENDENCE; GENERAL-FORM; D-3(+) IONS; 3 PARTICLES; H-3(+); HCO+; DYNAMICS; COEFFICIENTS; Chemistry, Physical; Physics, Atomic, Molecular & Chemical
We discuss exciting recent progress in the theoretical description of molecular ion dissociative recombination, with further applications to related processes such as molecular photoionization and rovibrationally-inelastic electron collisions with molecular ions. The techniques are based on quantum defect theory, an efficient tool for characterizing electron-ion collision processes, and on a generalized adiabatic formulation. When needed, the approximation of adiabaticity in the dissociative coordinate is lifted by taking non-adiabatic couplings explicitly into account. We concentrate on a time-independent theoretical framework that has been applied to describe dissociative recombination in ions such as H-3(+), its isotopologues (H2D+, D2H+ and D-3(+)), and HCO+ (DCO+). (C) 2011 Elsevier B.V. All rights reserved.
Chemical Physics Letters
"Breaking bonds with electrons: Dissociative recombination of molecular ions" (2011). Faculty Bibliography 2010s. 1494.