Issue |
A&A
Volume 510, February 2010
|
|
---|---|---|
Article Number | A79 | |
Number of page(s) | 6 | |
Section | Atomic, molecular, and nuclear data | |
DOI | https://doi.org/10.1051/0004-6361/200911977 | |
Published online | 16 February 2010 |
Electron excitation collision strengths for transitions in K II![[*]](/icons/foot_motif.png)
S. S. Tayal - O. Zatsarinny
1 - Department of Physics, Clark Atlanta University, Atlanta,
GA 30314, USA
2 -
Department of Physics and Astronomy, Drake University, Des Moines, IA, 50311, USA
Received 2 March 2009 / Accepted 30 November 2009
Abstract
Aims. Oscillator strengths and electron impact excitation
collision strengths for transitions between the 43 fine-structure
levels of the ,
,
,
,
and
configurations in K II are calculated. Thermally averaged collision
strengths are presented as a function of electron temperature for
application to astrophysical plasmas.
Methods. The B-spline Breit-Pauli R-matrix method is used to
investigate the electron impact excitation of forbidden and allowed
transitions in singly ionized potassium. The relativistic effects have
been incorporated through mass, Darwin and spin-orbit one-body
operators in the Breit-Pauli Hamiltonian in the scattering calculation,
while in the calculation of oscillator strengths the one-body and
two-body relativistic operators are included. Flexible non-orthogonal
sets of spectroscopic and correlation radial functions are used to
obtain accurate description of K II levels and to represent the
scattering functions. The 43 fine-structure levels of the ,
,
,
,
and
configurations have been considered in both the radiative and scattering calculations.
Results. The present cross sections for the excitation of the
lowest 4s and 3d states show reasonable agreement with the previous
R-matrix calculations. The calculated excitation energies are in
excellent agreement with experiment and represents an improvement over
the previous calculation. The oscillator strengths for transitions from
the ground state normally compare very well with previous calculations,
but for transitions from the metastable state a large discrepancy was
found with other calculations. The effective collision strengths are
obtained by integrating total resonant and non-resonant collision
strengths over a Maxwellian distribution of electron energies and these
are presented over a wide temperature range.
Key words: atomic data - atomic processes - line: formation
1 Introduction
Oscillator strengths and electron-ion collision processes play an
important role in the understanding of the physical processes and
conditions in various types of plasmas. The singly ionized potassium
has been detected in Io's atmosphere (Fegley & Zolotov 2000; Kuppers & Schneider 2000). Accurate
oscillator strengths and electron excitation collision strengths for
transitions in K II are important for the diagnostics of Io's
atmosphere and plasma torus. The prominent emission lines in the
spectrum of K II arise due to the
-
,
-
,
-
,
-
and
-
fine-structure transitions.
These lines occur in the extreme ultraviolet (EUV) region of the
spectrum and should be observable by the EUV spectrometers on board
space missions.
The excitation energy levels, oscillator strengths and electron
excitation cross sections for transitions in K II have been studied
both theoretically and experimentally. The most recent measured
excitation levels of K II have been reported by Peterson et al. (2007).
Tayal & Zatsarinny (2008) calculated cross sections for excitation of the
,
,
,
and
levels from the
ground
level using the B-spline Breit-Pauli R-matrix
(BSR) computer code (Zatsarinny 2006). The accurate description of K II
target wave functions was obtained by taking a proper account of the
strong term dependence of the valence orbitals and an adequate
treatment of large correlation corrections and relaxation effects.
Berrington et al. (2006) reported an intermediate-coupling frame transformation
R-matrix (icfRM) calculation for the excitation of the
,
,
,
and
levels. The experimental
study of excitation cross sections of K II were reported by
Zapesochny et al. (1986) using the crossed-beams technique. Both the BSR and
icfRM calculations predicted large discrepancies with experimental
cross sections in magnitude as well as in near threshold resonance
structure. The overall agreement between the two calculations was
found to be reasonable for the excitation of the
and
states, but large discrepancies up to a factor of 3 were
noted for the excitation to the higher-lying
,
and
states. The discrepancies between the BSR and icfRM
calculations were mainly attributed to the differences in the
description of target states and in the scattering models. The term
dependence effects have been found to be most important for the
and
states. There are large
correlation corrections for the
state due to the
strong penetration of the 3d electron in the core. We have extended
B-spline Breit-Pauli R-matrix calculation of Tayal & Zatsarinny (2008) to
calculate effective collision strengths for all allowed and
forbidden transitions among the 43 fine-structure levels. We have
also calculated oscillator strengths and transition probabilities
for the allowed and intercombination lines among these levels.
2 Excitation energies, oscillator strengths and lifetimes
The K II wave functions exhibit large correlation corrections due to
the core-valence interaction and strong term dependence of the
one-electron valence orbitals in the
configurations. In
addition, there is a strong interaction between the
and
Rydberg series together with strong spin-orbit mixing of
different terms. The K II target state wave functions have been
constructed with non-orthogonal orbitals that are optimized for each
atomic state separately to account for the term dependence. Our
calculations are performed using the multiconfiguration Hartree-Fock
(MCHF) method (Zatsarinny & Froese Fischer 2000; Froese Fischer 1991). The 43 K II bound levels of the
,
,
,
,
and
configurations have been considered in our work. These states show
different correlation patterns. We first generated the spectroscopic
1s, 2s, 2p, 3s and 3p core orbitals from a Hartree-Fock (HF)
calculation for the K2+
ground state. The term
dependent excited orbitals 4s, 3d, 4p, 5s and 4d were then generated
in separate HF calculations for each
1,3L state. The
HF
wave functions were improved by the correlation
functions (
,
;
l=0-4) with a 3s,
3p-excited core. The correlation orbitals
were
optimized for each term separately.
Table 1: Energies (Ryd) and lifetimes of the excitation levels.
The spectroscopic and correlation functions are used to construct
configuration-interaction (CI) expansions for different atomic
states by allowing one-electron and two-electron excitations from
all the basic configurations mentioned above. In the construction of
CI expansions for fine-structure levels with various J and
we
used configurations generated in this excitation scheme for the LS
states and with insignificant configurations with coefficients less
than 0.001 omitted from the expansions. The final CI expansions for
the even and odd parity fine-structure J levels contain from 26 to
167 configurations. We used 149 different non-orthogonal orbitals in
our calculations. The excitation energies of fine-structure levels
relative to the ground level are reproduced in Table 1 from the work
of Tayal & Zatsarinny (2008). Our results have been compared with measured
values from Peterson et al. (2007) and the NIST compilation
(http://physics.nist.gov). The agreement between our calculation
and the experiment is excellent for the lower-lying levels of the
and
configurations and is very good for the higher
levels. The accuracy of the higher-lying levels is slightly less
than that for the lower-lying levels. The term dependence effects
are most strong for the
and
states. The present calculation represents an improvement over the
calculation of Berrington et al. (2006) who used a set of the same orthogonal
one-electron orbitals to represent all target states. We believe
that our wave functions correctly represent the main correlation
corrections, the interactions between different Rydberg series and
term dependence effects. The theoretical lifetimes calculated in
length form for various fine-structure levels are also displayed in
last column of Table 1. We are not aware of any other theoretical or
experimental lifetimes for the fine-structure levels of K II.
![]() |
Figure 1:
Collision strengths for the intercombination |
Open with DEXTER |
The oscillator strengths for the dipole-allowed transitions from the
ground
and first metastable
levels were compared by Tayal & Zatsarinny (2008) with the CI calculation of
Berrington et al. (2006), the relativistic configuration-interaction (RCI)
calculation of Beck (2002), the results calculated by
Smirnov & Shapochkin (1979) from lifetime measurements and the measured values of
Henderson et al. (1997). A rather reasonable agreement between different
calculations was noted for transitions from the ground level except
for the
-
and
transitions where noticeable discrepancies were noted. For
oscillator strengths from the first metastable level, the CI
calculations of Tayal & Zatsarinny (2008) and Berrington et al. (2006) showed good
agreement with each other, but large discrepancy was noted with the
calculation of Smirnov & Shapochkin (1979). In the present paper, we present
oscillator strengths and transition probabilities for all allowed
and intercombination lines between the 43 fine-structure levels in
Table 2. The initial and final levels of a transition are given in
Cols. 1 and 2 and in Col. 3 we have listed the corresponding
indices of these levels from Table 1. The relativistic effects were
included through the spin-orbit, spin-other-orbit, spin-spin, mass
and Darwin Breit-Pauli operators. The values of oscillator strengths
for intercombination lines are usually much smaller than those for
the allowed transitions. The intercombination lines are induced by
the spin-orbit interaction by causing mixing between different LS
symmetries with the same set of quantum numbers J and
.
The
agreement between the length and velocity forms of oscillator
strengths may to some extent indicate the accuracy of wave functions
and convergence of CI expansions. However, it is not a sufficient
condition for the accuracy of results. The convergence of results is
an important accuracy criterion. There is normally a very good
agreement between the present length and velocity forms of
oscillator strengths.
3 Collision strengths
The scattering calculations were carried out with a new general
R-matrix code (Zatsarinny 2006), in which non-orthogonal orbitals are
used to describe both the target levels and the R-matrix continuum
basis functions. In our work the scattering orbitals were
constructed orthogonal to the 1s, 2s, 2p, 3s and 3p core orbitals
and to the spectroscopic valence 4s, 3d, 4p, 5s and 4d orbitals. No
orthogonality constraints to the correlated orbitals have been
imposed. Thus the bound part of the close-coupling expansions
contained only a limited number of configurations. We chose 87
continuum basis functions for each angular momentum and a R-matrix
box of radius a = 30 au to contain all atomic orbitals. The
relativistic effects in the scattering calculations have been
incorporated in the Breit-Pauli Hamiltonian through the use of
Darwin, mass correction and spin-orbit operators. The scattering
parameters are then found by matching the inner solution at r = ato the asymptotic solutions in the outer region. The calculations
include all scattering symmetries with
and these are
estimated to give converged results for many forbidden transitions.
The higher partial waves contributions (
)
for the
dipole-allowed transitions are calculated using the Coulomb-Bethe
approach and a top-up procedure based on geometric series
approximation for the non-allowed transitions.
![]() |
Figure 2:
Collision strengths for the forbidden |
Open with DEXTER |
![]() |
Figure 3:
Collision strengths for the forbidden |
Open with DEXTER |
We chose a fine-energy grid of 10-5 Ryd in the closed-channel
energy region up to 2.1 Ryd. This allowed us to delineate important
resonance structures almost completely in the collision strengths.
At higher energies where all channels are open and there are no
resonances, the collision strengths show smooth behavior and we use
an energy grid of 0.1 Ryd. The collision strength calculations are
performed in the energy range from threshold to 30.0 Ryd. The
collision strengths for the intercombination
-
(1-5) and forbidden
-
(1-17) and
-
(1-19) transitions have been displayed as a function of
incident electron energy from
threshold to the
threshold at 1.7 Ryd in Fig. 1 and from
threshold to
threshold around 2.0 Ryd in
Figs. 2 and 3. Our results (upper panel) have been compared with the
calculation of Berrington et al. (2006) (lower panel). The resonance structures
are almost completely resolved with a very fine energy mesh in our
calculation, whereas Berrington et al. (2006) appear to use a coarse energy
mesh. The resonance structures are very complex and quite dense due
to many overlapping Rydberg series converging to various thresholds.
The background collision strengths away from resonances appear to be
very similar from the two calculations, but there are differences in
magnitude and position of resonances. The differences are mostly
caused by the wave functions used in target descriptions and by the
scattering models. The resonances make substantial enhancements in
collision strengths for many transitions. Our calculation adequately
account for the short-range electron correlation to ensure correct
position of resonances in the low energy region.
![]() |
Figure 4:
Collision strengths for the |
Open with DEXTER |
We have displayed collision strengths for the
-
(1-5) (upper curves),
-
(1-17) (lower curves) and
-
(1-19) (middle curves) transitions in the
energy region from 2.5 to 30.0 Ryd in Fig. 4 where all channels are
open and collision strengths are expected to show smooth variation.
Our results are compared with the calculation of Berrington et al. (2006).
There is a reasonable agreement between the two calculations,
particularly for the weaker forbidden
-
(1-17) and
-
(1-19) transitions. It may be noted that our collision strengths
show a smooth behavior with energy, but the results of Berrington et al. (2006)
contain pseudoresonance structures in the energy region up to about
14.0 Ryd. Our results for the
-
(1-5) transition are higher than the calculation of
Berrington et al. (2006) by 10% to 16% at incident electron energies above
14.0 Ryd. The discrepancies between the two calculations for the
-
(1-5) transition
perhaps have been caused by the differences in target wave
functions, scattering models and the number of partial waves. The
inclusion of pseudostates and additional (N+1) terms in the
calculation of Berrington et al. (2006) may account for coupling to higher
autoionizing and continuum levels and thus reduce the collision
strength at intermediate energies. The cause of differences for 1-27 transition appears to be the same. It may be noted that Berrington et al. (2006) included up to J = 14.5 partial waves and applied a
top-up. The non-resonant background collision strengths for the
allowed transitions are normally larger than for the forbidden and
intercombination transitions, while the resonance enhancement in
collision strengths for the forbidden and intercombination
transitions are generally larger compared to allowed transitions. We
present collision strengths for all transitions between the 43
levels at seven incident electron energies 2.1, 4.0, 6.0, 8.0, 12.0,
16.0 and 20.0 Ryd in Table 3. The indices of initial and final
levels of a transition (i-j) are given in the first column of
Table 3 and these are taken from Table 1. These energies are above
the highest excitation threshold at 2.066 Ryd where collision
strength varies smoothly with incident electron energies. The
collision strengths for different types of transitions generally
show expected energy behavior in the higher energy region. The
collision strengths for dipole-allowed transitions exhibit
logarithmic behavior whereas collision strengths for
intercombination transitions fall-off rapidly with increasing
energy.
4 Effective collision strengths
We have calculated effective collision strengths by integrating the
collision strengths over a Maxwellian distribution of electron
energies. We have presented effective collision strengths for all
transitions between the lowest 43 fine-structure levels considered
in our work in Table 4. The indices of lower and upper levels of a
transition are given in Table 1. The results are presented at 11
temperatures in the range
K suitable for
modeling of astrophysical plasmas. The results for transitions to
higher excitation levels may be somewhat uncertain because of the
neglect of coupling with exciting levels above level 43. The
effective collision strength for the allowed transitions increases
with increasing temperature and the effective collision strength for
the intercombination transitions decreases with increasing
temperature in the high-temperature regime. The intercombination
transitions can occur only through electron exchange.
![]() |
Figure 5:
Effective collision strengths for the |
Open with DEXTER |
![]() |
Figure 6:
Effective collision strengths for the forbidden |
Open with DEXTER |
We have plotted effective collision strengths for the
-
(1-5),
-
(1-17) and
-
(1-19) transitions as a function of electron temperature in
the range
K in Fig. 5. To the best of our
knowledge there are no other previous effective collision strengths
available to compare with our results. The high quality wave
functions that take adequate account of the term dependence of
valence orbitals and of relaxation effects have been used in our
calculation. However, we have not checked on the coupling effects
from higher lying excitation levels. The effective collision
strengths for the forbidden
-
(1-18),
-
(1-21) and
-
(1-25) transitions are shown
in Fig. 6 as a function of electron temperature. The effective
collision strengths for the forbidden transitions generally display
a slow fall-off with increasing temperature. The effective collision
strengths for the forbidden
-
(1-18) transition decrease more rapidly than for the
-
(1-21) and
-
(1-25) transitions.
5 Discussion and conclusions
There are generally two major sources of error in any close-coupling
scattering calculation: target description and convergence of
close-coupling expansion. Based on a comparison of calculated
excitation energies and oscillator strengths with experiments and
other reliable calculations as well as the fact that we used a well
tested sound approach, our wave functions appear to be of high
quality to yield an accurate target description. The excitation
energies of the target levels shown in Table 1 demonstrate that our
theory deviates from experiment by less than 0.5% for all but 7
excited levels (12-16, 26 and 29) where the percentage deviation
is generally less than 0.6%. The worst agreement is for the
level which deviates from the experiment by
0.65%. The excitation energies depend to first order on the
accuracy of wave functions, while oscillator strengths depend to
second order and thus can provide a better test of the wave
functions. A detailed comparison of oscillator strengths from the
ground
and first metastable
levels with other calculations and experiment was presented
by Tayal & Zatsarinny (2008) who noted a reasonable agreement with other
reliable calculations. Our radiative parameters are estimated to be
accurate to about 5%.
A sufficient number of target states in the close-coupling expansion
are required to achieve convergence for the transitions of interest.
This factor may introduce varied amount of uncertainties in
different transitions. The collision strengths for transitions
between the levels of ,
,
and
configurations are well converged in our calculation. The
transitions from the ground
level to the
,
and
levels should be most accurate
(
15%) and somewhat less accurate (
20%) for
transitions between excited levels. For higher levels of the
configuration there may be significant coupling effects
from higher autoionizing and continuum states and thus our results
for transitions involving
levels may be less accurate
(
25% or worse). It may also be noted that we used a very
fine-energy mesh (10-5 Ryd) in the threshold energy region to
resolve almost all resonances and performed scattering calculation
up to 30.0 Ryd. The B-spline R-matrix calculations were carried out
for partial waves up to J = 50.5. The top-up procedures based on the
Coulomb-Bethe approach for the allowed transitions and geometric
progression approach for non-allowed transitions were used to
estimate the contributions for
.
These scattering
parameters were considered sufficient and not to cause any further
significant uncertainties in our results.
In conclusion, we have presented accurate oscillator strengths and
effective collision strengths for K II lines among the 43
fine-structure levels. We used non-orthogonal orbitals for the
construction of CI wave functions for target levels and for the
representation of scattering functions. The checks on excitation
energies and oscillator strengths provide us confidence that our
target wave functions are likely to be accurate to yield reliable
collision strengths from the B-spline Breit-Pauli R-matrix
scattering calculations. The present target wave functions contain
both the valence and core-valence correlation, together with the
relaxation effects due to the strong penetration of the electron in the core. We have attempted to account for important
physical effects such as electron correlation, relativistic, and
channel coupling effects. The Rydberg series of resonances
converging to several excited levels are found to enhance collision
strengths substantially. The effective collision strengths are
presented over a wide range of electron temperatures suitable for
use in astrophysical plasmas modeling. We have also reported
accurate radiative rates for E1 transitions using non-orthogonal
wave functions in multiconfiguration Hartree-Fock approach which are
of considerable interest in astrophysical applications.
This research work is supported by NASA grant NNX09AB63G from the Planetary Atmospheres program. The authors would like thank Professor K. A. Berrington for sending their collision strength data in electronic form.
References
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Footnotes
- ... II
- Tables 2-4 are only available in electronic form at the
CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via
http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/510/A79
All Tables
Table 1: Energies (Ryd) and lifetimes of the excitation levels.
All Figures
![]() |
Figure 1:
Collision strengths for the intercombination |
Open with DEXTER | |
In the text |
![]() |
Figure 2:
Collision strengths for the forbidden |
Open with DEXTER | |
In the text |
![]() |
Figure 3:
Collision strengths for the forbidden |
Open with DEXTER | |
In the text |
![]() |
Figure 4:
Collision strengths for the |
Open with DEXTER | |
In the text |
![]() |
Figure 5:
Effective collision strengths for the |
Open with DEXTER | |
In the text |
![]() |
Figure 6:
Effective collision strengths for the forbidden |
Open with DEXTER | |
In the text |
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