The total cross sections for reaction (1) computed in this
work are presented in Fig. 1 along with all the
available experimental data, previous calculations, and the recommended
cross section of Janev et al. ([1995]). The quantal MOCC (QMOCC)
calculations are in good agreement with the measurements of
Stebbings et al. ([1960]) and Fite et al. ([1962]).
Between
and
eV/u a rapid oscillation is
apparent in the QMOCC cross section (see also Fig. 2).
This may be due
to orbiting effects in the very shallow bound potential of
the OH+
state which is further discussed
in Krajcar-Bronic et al. ([1999]).
The current QMOCC calculation included three electronic channels
with the
energy difference of 115 K (9.91 meV), obtained from the centroid of the
O fine-structure levels (see Table 1). It was found
that radial coupling was the dominant charge transfer mechanism
with rotational coupling giving a negligible contribution.
![]() |
Figure 2:
Fine-structure resolved charge transfer cross sections
for reaction (1), O+ + H ![]() |
Figure 1 also shows our semiclassical MOCC (SCMOCC)
which is in excellent agreement with the measurements of
Stebbings et al. ([1960]), Fite et al. ([1962]),
and Phaneuf et al. ([1978]), while the semiclassical
calculation of Rapp & Ortenburger appears to overestimate
the cross section by a factor of between 0.1 eV/u and 1 keV/u and has the wrong energy dependence
for lower energies.
For higher energies, Fig. 1 displays new CTMC and CDW results compared to the experiments of Phaneuf et al. ([1978]) and Meyer et al. ([1979]), the Oppenheimer-Brinkman-Kramers (OBK) approximation calculation of Eichler et al. ([1981]), and the CTMC calculation of Janev & McDowell ([1984]). For collision energies greater than 20 keV/u and 500 keV/u, the current CTMC and CDW results, respectively are in good agreement with the previous measurements and calculations. As mentioned earlier, CTMC is not reliable at lower energies because it neglects quantum tunneling effects.
For lower energies (< 0.5 eV/u), the fine-structure of the oxygen atom becomes important. Our new QMOCC-FS fine-structure resolved and total cross sections for reaction (1) are displayed in Fig. 2. The only data available for comparison are the semiclassical calculations of Rapp & Ortenburger ([1960]) which are in significant disagreement with the current results. The current total QMOCC-FS is in good agreement with the current QMOCC and SCMOCC between 0.1 and 1 eV/u.
Cross sections for reaction (2), H+ + O, are presented in Figs. 3 and 4. In Fig. 3 the new QMOCC computations are compared to the experiments of Stebbings et al. ([1964]), Rutherford & Vroom ([1974]), Van Zyl & Stephen ([1992]), and Lindsay et al. ([1996]), the QMOCC-FS calculations of Chambaud et al. ([1980]), the QMOCC results of Kimura et al. ([1997]), the electron nuclear dynamics (END) calculations of Hedström et al. ([1998]), and the cross section deduced by detailed balance from the recommended reaction (1) cross section of Janev et al. ([1995]). The current QMOCC is in good agreement with the experimental data for energies less than about 200 eV/u. The discrepancy at higher energies may be related to our neglect of ETFs. For energies greater than 10 eV/u, the current SCMOCC results, which include ETFs, are in excellent agreement with the experimental data, while the END calculation underestimates the data. The previous QMOCC calculation of Kimura et al. ([1997]) neglected the initial approach degeneracy factors and apparently used an integration step size which was too large.
At lower energies, Fig. 3 displays the current fine-structure
resolved QMOCC-FS results and those of Chambaud et al. Near 0.1 eV/u the
two calculations are in reasonable agreement, but appear to diverge for
lower energies with the current results for J=0 and J=1 following
the expected 1/v behavior. The Chambaud et al. cross sections
have a much steeper low-energy
dependence. The statistically averaged sum of the fine-structure
cross sections agree between 0.1 and 0.5 eV/u, but again diverge
for lower energies. While the differences in the magnitudes of the
cross sections may be related to differences in the radial coupling
matrix element (not explicitly given by Chambaud et al.), we cannot explain
the lower energy discrepancies.
Figure 4 shows reaction (2) cross sections
for energies greater than 100 eV/u. The current CTMC and CDW
calculations (which include the sum of capture from the O(),
O(
), and O(
)
subshells computed using the independent
electron model) are compared with the experiments of Stier &
Barnett ([1956]), de Heer et al. ([1966]),
Schryber ([1967]), Toburen et al. ([1968]),
Williams et al. ([1984]), and Thompson et al. ([1996]),
and the calculations of Tan & Lee ([1981]), and
the atomic-orbital close-coupling (AOCC) results of
Hamre et al. ([1999]).
Additionally, the
K-shell capture (i.e., removal of an O(1s) electron) measurements
of Cocke et al. ([1977]) are compared to the theoretical
calculations of Lin et al. ([1978]), Miraglia et al.
([1984]), and Saha et al. ([1985]). Other K-shell
capture calculations (not shown for clarity) were performed by
Ghosh et al. ([1987]), Belkic ([1988]),
Dunseath et al. ([1988]), Gravielle & Miraglia ([1988]),
and Kuang ([1991]). The CTMC results are in fair
agreement with the experimental data. Unlike for reaction (1),
CTMC is in good agreement with the measured cross sections from
1 to 300 keV/u.
For E> 300 keV/u, it overestimates the total capture
cross section because the K-shell contribution is calculated to
be about a factor of three larger than the measurements of Cocke
et al. ([1977]) (see Schultz & Stancil [1999]).
The current CDW results are in fair agreement with the measurements
and the calculations of Tan & Lee ([1981]) for E> 100 keV/u,
but are about a factor of two larger.
However, we note that all of the high energy measurements were
performed on O2 targets except for Williams et al. and Thompson
et al., with the O target assumed to be one-half of the O2cross section.
A new recommended cross section for reaction (1)
was constructed through a non-linear fit
of all the available data, but with exclusion of the calculations of
Rapp & Ortenburger ([1960]) and the lower energy portions
of the Phaneuf et al. and CDW results.
The new recommended cross
section is shown in Fig. 5
with fit coefficients for the relation
![]() |
![]() |
![]() |
(3) |
Assuming detailed balance, we deduced a "recommended'' cross section
for process (2) from the Janev et al. reaction (1) cross
section as shown in Figs. 3 and 4. The deduced
cross section does not reproduce the most recent results.
Using a consistent set of experimental and
theoretical data, we also constructed a recommended cross section
for process (2) shown in Fig. 5 with fit
coefficients given in Table 2.
Coefficient | Reaction (1) | Reaction (2) |
a1 | 3.93 10-16 | 1.20 10-15 |
a2 | 2.05 10-3 | 32.0 |
a3 | 7.16 10-2 | 4.15 10-3 |
a4 | 2.95 10-8 | 2.35 10-9 |
a5 | 0.812 | 0.792 |
a6 | 3.01 10-2 | 2.94 10-2 |
a7 | 0.150 | 7.26 10-3 |
a8 | 0.183 | 8.45 10-4 |
a9 | 1.04 10-2 | 8.35 10-4 |
a10 | 0.236 | 0.563 |
Figure 6 displays various theoretical and experimental rate coefficients for reactions (1) and (2) with the current results obtained by averaging the new recommended cross sections over a Maxwellian velocity distribution. Using a Langevin orbiting approximation, Field & Steigman ([1971]) estimated the rate coefficients for temperatures up to 10000 K, while using their QMOCC-FS cross sections, Chambaud et al. obtained rate coefficients up to only 1000 K. There is significant discrepancy between these two calculations. Further, the O+ + H measurement of Federer et al. ([1984]) is in agreement with Chambaud et al. while the H+ + O measurement of Fehsenfeld & Ferguson ([1972]) is consistent with Field & Steigman ([1971]). For reaction (1), our new total rate coefficients are consistent with Chambaud et al., but generally are slightly larger. The new results are also a factor of two larger than Field and Steigman at 10000 K. For reaction (2), the rate coefficients for a population of oxygen atoms in collisional equilibrium is only slightly larger than for the rate coefficients with all atoms in the J=2 level for T<1000 K. Both are only slightly smaller than the rate coefficients determined by Field and Steigman except at T= 10000 K, where the current results are a factor of 1.8 larger. The current reaction (2) rate coefficients are somewhat larger than the Chambaud et al. results. At high temperatures, the current rate coefficients are in fair agreement with Kimura et al. ([1997]) for reaction (2) for T>50000 K. J-resolved rate coefficients are also displayed in Fig. 6.
The current rate coefficients are fit to the form
![]() |
(4) |
![]() |
J=0 | J=1 | J=2 | Total |
10 | 9.46-15a | 9.59-11 | 2.97-10 | 3.93-10 |
20 | 1.22-12 | 9.46-11 | 2.82-10 | 3.77-10 |
30 | 5.94-12 | 9.10-11 | 2.52-10 | 3.49-10 |
50 | 2.11-11 | 8.94-11 | 2.42-10 | 3.52-10 |
100 | 5.73-11 | 9.15-11 | 2.66-10 | 4.15-10 |
200 | 1.04-10 | 9.93-11 | 3.13-10 | 5.17-10 |
500 | 1.71-10 | 1.20-10 | 4.01-10 | 6.91-10 |
1000 | 2.27-10 | 1.47-10 | 5.00-10 | 8.74-10 |
2000 | 2.93-10 | 1.85-10 | 6.31-10 | 1.11-9 |
5000 | 4.02-10 | 2.59-10 | 8.66-10 | 1.53-9 |
10000 | 5.28-10 | 3.44-10 | 1.14-9 | 2.01-9 |
b1 | 4.47-10b | 3.29-10 | 1.14-9 | 2.08-9 |
c1 | 2.57-1 | 4.55-1 | 3.97-1 | 4.05-1 |
d1 | -5.49+4 | ![]() |
![]() |
![]() |
b2 | 1.03-11 | 1.97-11 | 1.38-11 | 1.11-11 |
c2 | -3.65-1 | -2.09-1 | -2.98-1 | -4.58-1 |
d2 | 85.7 | 3.22+4 | 3.64+4 | ![]() |
![]() |
J=0 | J=1 | J=2 | Equil. |
10 | 9.17-10 | 2.71-10 | 3.17-20 | 5.21-20 |
20 | 8.21-10 | 2.56-10 | 3.59-15 | 5.33-15 |
30 | 7.89-10 | 2.48-10 | 1.70-13 | 2.48-13 |
50 | 7.65-10 | 2.42-10 | 3.70-12 | 5.41-12 |
100 | 7.83-10 | 2.45-10 | 4.25-11 | 5.94-11 |
200 | 8.67-10 | 2.65-10 | 1.59-10 | 1.98-10 |
500 | 1.04-9 | 3.21-10 | 4.06-10 | 4.29-10 |
1000 | 1.25-9 | 3.92-10 | 6.37-10 | 6.19-10 |
2000 | 1.53-9 | 4.95-10 | 8.97-10 | 8.34-9 |
5000 | 2.08-9 | 6.95-10 | 1.30-9 | 1.19-9 |
10000 | 2.74-9 | 9.32-10 | 1.75-9 | 1.59-9 |
b1 | 2.39-9 | 7.91-10 | 1.57-9a | 1.26-9a |
c1 | 3.27-1 | 3.11-1 | 2.98-1 | 5.17-1 |
d1 | -2.06+5 | -5.97+5 | -7.51+4 | ![]() |
b2 | 3.54-11 | 1.96-11 | 1.62-7 | 4.25-10 |
c2 | -4.26-1 | -3.29 | 1.13 | 6.69-3 |
d2 | 5.27+3 | 2.21+2 | 19.4 | ![]() |
![]() |
Reaction (1) | Reaction (2) | |||
a | b | c | d | b | |
10000 | 2.01-9 | 1.4-9 | 1.61-9 | 6.1-11 | 9.1-10 |
20000 | 2.69-9 | 2.19-9 | |||
50000 | 3.97-9 | 3.37-9 | 2.91-9 | ||
80000 | 4.83-9 | 4.22-9 | |||
100000 | 5.30-9 | 4.71-9 | 7.02-9 | ||
200000 | 7.04-9 | 6.59-9 | 1.39-8 | ||
500000 | 1.02-8 | 1.03-8 | |||
800000 | 1.24-8 | 1.29-8 | |||
1 106 | 1.36-8 | 1.44-8 | |||
2 106 | 2.14-8 | 2.02-8 | |||
5 106 | 2.61-8 | 3.11-8 | |||
8 106 | 3.09-8 | 3.86-8 | |||
1 107 | 3.31-8 | 4.27-8 |
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