Continuum and bound states of the e(-)-CH(+) system using the R-matrix method

Details Continuum and bound states of the e(-)-CH(+) system using the R-matrix method Continuum and bound states of the e(-)-CH(+) system using the R-matrix method

Mar 1988

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1988jphb...21..805t&link_type=abstract

Journal of Physics B - Atomic, Molecular and Optical Physics (ISSN 0953-4075), vol. 21, March 14, 1988, p. 805-816.

Computer Science

Numerical Analysis

22

Electron Transitions, Electron-Ion Recombination, Excitation, Interstellar Matter, Methyl Compounds, Molecular Ions, Atomic Structure, Ground State, Numerical Analysis, Quantum Theory, Rydberg Series

Scientific paper

Molecular R-matrix calculations are performed on the astrophysically important e(-)-CH(+) system for internuclear separations in the range 1.5-4.0 a(0). The calculations are performed for both 2Pi and 2Sigma total symmetries. Several approximations, the most sophisticated being a polarized three-state close-coupling expansion, are employed. Many resonances below the CH(+) (a3Pi) threshold are resolved and classified using complex multichannel quantum defect theory. Scattering calculations with negative energy are used to obtain CH bound states. These yield a vertical ionization energy in good agreement with experiment and estimates of the excitation energy to several excited states of 2Pi and 2Sigma symmetry, including some that have not previously been considered.

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