Breaking bonds with electrons: Dissociative recombination of molecular ions

    Authors

    V. Kokoouline; N. Douguet;C. H. Greene

    Comments

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    Abbreviated Journal Title

    Chem. Phys. Lett.

    Keywords

    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

    Abstract

    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.

    Journal Title

    Chemical Physics Letters

    Volume

    507

    Issue/Number

    1-3

    Publication Date

    1-1-2011

    Document Type

    Article

    Language

    English

    First Page

    1

    Last Page

    10

    WOS Identifier

    WOS:000289772600001

    ISSN

    0009-2614

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