J/A+A/631/A86 ArH+ by collision with He (Garcia-Vazquez+, 2019)
Relaxation of ArH+ by collision with He: Isotopic effects.
Garcia-Vazquez R.M., Marquez-Mijarez M., Rubayo-Soneira J., Denis-Alpizar O.
<Astron. Astrophys. 631, A86 (2019)>
=2019A&A...631A..86G 2019A&A...631A..86G (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: astrochemistry - molecular data - molecular processes - scattering -
ISM: molecules
Abstract:
The study of noble gas compounds has gained renewed interest thanks to
the recent detection of ArH+ in the interstellar medium (ISM). The
analysis of physical-chemical conditions in the regions of the ISM
where ArH+ is observed requires accurate collisional data of ArH+
with He, H2, electrons, and H.
The main goals of this work are to compute the first three-dimensional
potential energy surface (PES) to study the interaction of ArH+ with
He, analyze the influence of the isotopic effects in the rate
coefficients, and evaluate the rovibrational relaxation rates.
Two ab initio grids of energy were computed at the coupled cluster
with single, double, and perturbative triple excitations (CCSD(T))
level of theory using the augmented correlation consistent polarized
quadruple, and quintuple zeta basis sets (aug-cc-pVQZ, and
aug-cc-pV5Z) and a grid at the complete basis set limit was
determined. The analytical representation of the PES was performed
using the reproducing kernel Hilbert space (RKHS). The dynamics of the
system was studied using the close coupling method.
The differences in the rate coefficients for the isotopes 36ArH+,
38ArH+, and 40ArH+ in collision with He are negligible.
However, the rotational rates for the collision of ArD+ with He cannot
be estimated from those for ArH++He. Comparison with previous rates
for the 36ArH++He collision showed discrepancies for |Δj|>2, and
in the case of high initial rotational states of 36ArH+ differences
were found even for |Δj|=1. The rates for transitions between
different vibrational states were also examined. Finally, new sets of
rotational rates for 36ArH++He and 36ArD++He are reported.
Description:
File table1 contains the rates coefficients for 36ArH+ by
collision with He for a temperatures in the range of 10-500K.
File table2 contains the rates coefficients for 36ArD+ by
collision with He for the ground vibrational state and the same
interval of temperatures.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
table1.dat 136 528 Collision rates coefficients of 36ArH+
by collision with He
table2.dat 130 78 Collision rates coefficients of 36ArD+
by collision with He
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Byte-by-byte Description of file: table1.dat
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Bytes Format Units Label Explanations
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1- 2 I2 ---- vi Initial vibrational state
4- 5 I2 ---- ji Initial rotational state
7- 8 I2 ---- vf Final vibrational state
10- 11 I2 ---- jf Final rotational state
16- 24 E9.4 cm+3/mol/s k10K Collision rates for T=10K, in cm3/molecule/s
30- 38 E9.4 cm+3/mol/s k40K Collision rates for T=40K, in cm3/molecule/s
44- 52 E9.4 cm+3/mol/s k80K Collision rates for T=80K, in cm3/molecule/s
58- 66 E9.4 cm+3/mol/s k100K Collision rates for T=100K, in cm3/molecule/s
72- 80 E9.4 cm+3/mol/s k150K Collision rates for T=150K, in cm3/molecule/s
86- 94 E9.4 cm+3/mol/s k200K Collision rates for T=200K, in cm3/molecule/s
100-108 E9.4 cm+3/mol/s k300K Collision rates for T=300K, in cm3/molecule/s
114-122 E9.4 cm+3/mol/s k400K Collision rates for T=400K, in cm3/molecule/s
128-136 E9.4 cm+3/mol/s k500K Collision rates for T=500K, in cm3/molecule/s
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Byte-by-byte Description of file: table2.dat
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Bytes Format Units Label Explanations
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1- 2 I2 ---- ji Initial rotational state
4- 5 I2 ---- jf Final rotational state
10- 18 E9.4 cm+3/mol/s k10K Collision rates for T=10K, in cm3/molecule/s
24- 32 E9.4 cm+3/mol/s k40K Collision rates for T=40K, in cm3/molecule/s
38- 46 E9.4 cm+3/mol/s k80K Collision rates for T=80K, in cm3/molecule/s
52- 60 E9.4 cm+3/mol/s k100K Collision rates for T=100K, in cm3/molecule/s
66- 74 E9.4 cm+3/mol/s k150K Collision rates for T=150K, in cm3/molecule/s
80- 88 E9.4 cm+3/mol/s k200K Collision rates for T=200K, in cm3/molecule/s
94-102 E9.4 cm+3/mol/s k300K Collision rates for T=300K, in cm3/molecule/s
108-116 E9.4 cm+3/mol/s k400K Collision rates for T=400K, in cm3/molecule/s
122-130 E9.4 cm+3/mol/s k500K Collision rates for T=500K, in cm3/molecule/s
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History:
Otoniel Denis-Alpizar, otonieldenisalpizar(at)gmail.com
Acknowledgements:
Support from the projects CONICYT/FONDECYT/INICIACION/No. 11160005 and
Programa Ciencias Basicas Proyecto No. p223LH001 -108 are
acknowledged.
(End) Patricia Vannier [CDS] 21-Oct-2019