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Rotational cross sections and rate coefficients of CP(X2Σ+) induced by its collision with He(1S) at low temperature
The potential energy surface (PES) for the CP ( X 2 Σ + ) - He ( 1 S ) complex has been calculated at the RCCSD(T)-F12/VTZ-F12 level of theory. The analytic fit of the PES was obtained by using global analytical method. The fitted PES was used subsequently in the close-coupling approach for the comp...
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Published in: | Astrophysics and space science 2018-03, Vol.363 (3), p.1-7 |
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Main Authors: | , , , , , |
Format: | Article |
Language: | English |
Subjects: | |
Online Access: | Get full text |
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Summary: | The potential energy surface (PES) for the
CP
(
X
2
Σ
+
)
-
He
(
1
S
)
complex has been calculated at the RCCSD(T)-F12/VTZ-F12 level of theory. The analytic fit of the PES was obtained by using global analytical method. The fitted PES was used subsequently in the close-coupling approach for the computation of the state-to-state collisional excitation cross sections of the fine-structure levels of the CP-He complex. Collision energies were taken up to 1500 cm
−1
and they yield after thermal averaging, state-to-state rate coefficients up to 200 K. The propensity rules between the lowest fine-structure levels were studied. These rules show, on one hand, a strong propensity in favour of even
Δ
N
transitions, and the other hand, that cross sections and collisional rate coefficients for
Δ
j
=
Δ
N
transitions are larger than those for
Δ
j
≠
Δ
N
transitions. |
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ISSN: | 0004-640X 1572-946X |
DOI: | 10.1007/s10509-018-3270-9 |