J/A+A/654/A172 Photoionization of the CH radical (Wang+, 2021)
Photoionization of the CH radical using B-spline R-matrix method.
Wang K.D., Liu J., Wang Y., Yang C.J., Liu Y.F.
<Astron. Astrophys. 654, A172 (2021)>
=2021A&A...654A.172W 2021A&A...654A.172W (SIMBAD/NED BibCode)
ADC_Keywords: Diffuse clouds ; Molecular clouds ; Excitation rates ;
Models, atmosphere ; Abundances
Keywords: molecular data - molecular processes - methods: numerical -
ultraviolet: ISM
Abstract:
The primary motivation of this paper is to provide accurate data for
the photoionization of the CH radical, including absolute total
photoionization cross section, partial cross sections and photo
electron angular distribution. In addition,the near threshold features
in the photoionization curve (which are absent in previous studies)
are produced with high precision. A multichannel wavefunction based on
R-matrix approach, which uses the configuration interaction (CI)
method to describe electronic correlation, is carried out in the
present calculations. A set of B-spline orbitals is employed to
represent the accurate continuum. The distinctive feature of the
present calculations allows us to generate a more accurate description
of the bound and continuum states than those employed before. Total
photoionization cross sections from the ground state of CH radicals
and partial cross sections corresponding to 1π, 3σ, and
2σ states of CH+ ions are presented for photon energies ranging
from threshold to 80eV. Extensive resonance structures, which are
absent in previous studies, near the ionization threshold, are
observed for the first time. The cross-section dataset obtained from
the present calculations is expected to be sufficiently accurate and
comprehensive for most current modeling applications involving the
photon and CH radicals scattering system.
Description:
Total photoionization cross sections from the ground state of CH
radicals and partial cross sections corresponding to 1π, 3σ,
and 2σ states of CH+ ions are presented for photon energies
ranging from threshold to 80eV. In addition,the near threshold
features in the photoionization curve (which are absent in previous
studies) are produced with high precision. The calculations are
carried out with a multichannel R-matrix approach, which uses the
configuration interaction (CI) method to describe electronic
correlation and B-spline orbitals to represent the accurate continuum.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
crosec.dat 52 1594 Total and partial photoionization cross sections
from the ground state of CH radicals
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Byte-by-byte Description of file: crosec.dat
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Bytes Format Units Label Explanations
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1- 7 F7.3 eV PE Photon energy in eV
9- 16 F8.5 10-22m+2 TCS Total photoionization cross sections
18- 25 F8.5 10-22m+2 GrCS Cross section to the ground state
X1Σ+ of CH+
27- 34 F8.5 10-22m+2 FiCS Cross section to the first excited
state a3Π of CH+
36- 43 F8.5 10-22m+2 SeCS Cross section to the second excited
state A1Π of CH+
46- 52 F7.5 10-22m+2 ThCS Cross section to the third excited
state b3Σ- of CH+
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Acknowledgements:
Kedong Wang, wangkd(at)htu.cn
(End) Patricia Vannier [CDS] 13-Sep-2021