Ab initio studies of dissociative recombinationQuantum chemical calculations of the dissociative recombination of O2(+) and N2(+) are reported. An approach for calculating autoionization widths from high-principal-quantum-number Rydberg states is summarized, and an example is presented for the lowest dissociative state of O2. For O2(+), the 1Sigma(+)u state is the sole source of O(1S) from the lowest 10 vibrational levels of the ion. Rate coefficients for generating O(1S) and O(1D) at ionospheric temperatures are reported.
Document ID
19900048525
Acquisition Source
Legacy CDMS
Document Type
Conference Paper
Authors
Guberman, Steven L. (Institute for Scientific Research Lexington, MA, United States)
Date Acquired
August 14, 2013
Publication Date
January 1, 1989
Subject Category
Atomic And Molecular Physics
Meeting Information
Meeting: Dissociative Recombination: Theory, Experiment and Applications