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Energies, Auger width, and branching ratios of the core-excited ...
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类铍离子内壳激发态1s2p3 3Po 和 3Do的能量、俄歇宽度和俄歇分支率的计算,张孟,苟秉聪,本文采用鞍点变分方法计算了类铍离子等电子系列(Z=4-10)内壳激发态1s2p3 3Po 和3Do的相对论能量。采用鞍点复数转动方法计算了内壳激发态
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http://www.paper.edu.cn
Energies, Auger width, and branching ratios of the
core-excited triplet 1s2p
3
3
P
o
and
3
D
o
resonances for
berylliumlike system
Meng Zhang1,BingCong Gou1,LiLi Cui2
1Department of Physics, Beijing Institute of Technology, Beijing 100081, P. R. China
2Department of Physics, Kansas State University, Manhattan, KS 66506, USA
E-mail: manny@bit.edu.cn, goubing@sina.com and lili@phys.ksu.edu
Abstract
The relativistic energies, Auger width, and Auger decay branching ratios of the core-excited 1s2p
3
3
P
o
and
3
D
o
states for beryllium isoelectronic sequence (Z=4-10) are studied using the saddle-point
variational method and the saddle-point complex-rotation method. The total Auger width is
obtained by coupling the important open channels and summing over the other channels. The
oscillator strengths and transition rates are also calculated. Our results are compared with the
available experimental and other theoretical results in the literature.
Keywords: Beryllium-like ions, Core-excited sates, Auger width
1. Introduction
The studies of the core-excited states for berylliumlike ions, a complex four-electron atomic
system, play an important role in developing the excited state theory of multi-electron atoms
and better understanding the complicated correlation effects between electrons. In the past
two decades, many experiment results on the 1s core-excited four-electron resonances from
ion-atom or ion-molecule collision experiments [1-13] have been reported in the literature. At
the same time, extensive theoretical methods [14-29] have been used to study the core-excited
states of beryllium-like ions, such as MCDF-EAL method [17], the 1/Z expansion method
[12], close-coupling calculations method [21] and the saddle-point method [20,30]. However,
most of the work studied the energies, oscillator strengths and transition rates, and Auger
electron spectra of the core-excited four-electron systems. Due to a lack of accurate
theoretical data and the multichannel nature of the Auger decay, it is very difficult for the
Auger spectra for Be-like system to identify. So far, to our knowledge, very few theoretical
methods and experiments have studied the Auger width and branching ratios of the
core-excited resonances for berylliumlike ions.
1
http://www.paper.edu.cn
In 1979, a “saddle-point” method [26] was developed to study inner-shell vacancy
systems. In the past, some core-excited resonances were calculated for Be
I
, B
II
, C
III
and O
V
by Chung using the saddle-point method [30-32] in which the 1s2p
3 3
P
o
and
3
D
o
resonances
were included. The results from the saddle-point methods [30-32] are used to identify the
Auger spectra of Be
I
, B
II
and C
III
observed by Rødbro et al [1]. Knowing the decay
branching ratios of a state will help greatly in making positive identification. To explain the
Auger branching ratios for multiply excited atomic systems, a spin-alignment-dependent
theory was proposed by Chung [33]. Recently, Lin et al [34,35], Shiu et al [36] and Liaw [37]
calculated the energies and Auger widths of some core-excited 1s2s
2
2p
3,1
P
o
, 1s2s2p
2
3,1
S,
3,1
P,
3,1
D, 1s2p
3
1
P
o
, 2s
2
2p
2
3
P, and 2s2p
3
5
S resonances for the Be-like ions from Be
I
to Ne
VII
using a saddle-point complex-rotation method. However, these investigations did not cover
1s2p
3
3
P
o
and
3
D
o
resonances. We note that no Auger decay channel is found for triplet state
1s2p
3
3
S
o
according to the Auger decay selection rules. Recently, for Ne
VII
, Zeng and Yuan
[21] studied the resonance energies, widths, and branching ratios of the 1s2p
3 3
P
o
and
3
D
o
resonances using close-coupling calculations.
In this work the saddle-point variational method and the saddle-point complex-rotation
method are used on the core-excited 1s2p
3
3
P
o
and
3
D
o
states for beryllium isoelectronic
sequence (Z=4-10). The resonance energies, Auger channel energies, Auger width, and Auger
branching ratios of these states are reported. The calculated results are compared with
experimental and other theoretical results. These available data should be very useful in the
better understanding of the experimental spectra in the future.
2. Theory
The non-relativistic Hamiltonian for a four-electron system is given in atomic units by
∑
=
<
=
+
⎥
⎦
⎤
⎢
⎣
⎡
−∇−=
4
1
4
1,
2
0
14
2
1
ˆ
i
ji
ji
iji
i
rr
H
∑
. (1)
The saddle-point wave function
b
ψ
of the core-excited four-electron system
can be
written as
2
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() ()
(
)
()
Z
SS
LM
ililin
i
iib
RrPCA
χφψ
)()](1−[)4,3,2,1(
,
ΩΥ=
∑
, (2)
where
A
is the antisymmetrization operator and the radial basis function are Slater orbitals:
∏
=
−=
4
1
)(),(
)exp()(
j
jj
n
j
ilin
rrR
j
αφ
. (3)
In Eq. (2) the projection operator is given by:
)()()(
00 iii
rrrP
φφ
= (4)
Here the vacancy orbital is:
)exp()(
0
qrNr
−
=
φ
. (5)
Where
is a parameter determined in the energy maximization processes and can be
roughly interpreted as the effective nuclear charge seen by the 1s-vacancy orbital. The linear
parameters C
q
i
and the nonlinear parameters
j
α
in equation (3) are determined in the energy
optimization process. Using the saddle-point variational method, we gain the basic wave
function
b
ψ
and the corresponding saddle-point energy . A different set
b
E
j
α
is used for
each . The angular and spin wave function can be represented as )(il
(
)
(
)
[
]
,,, lllllli
412331221
=l
(6)
(
)
[
]
412331221
,,, ssssss
SS
Z
=
χ
.
(7)
To saturate the functional space, the restricted variational method [38] is used to further
improve energy
. The total nonrelativistic energy is obtained by adding improvement from
restricted variation
b
E
RV
E
∆
. Then the nonrelativistic energy
is given by
RVb
EE ∆
+
.
In addition to , the total energy is further improved by including the mass
polarization effect and relativistic correction. The relativistic and mass polarization
perturbation operators are calculated using first-order perturbation theory. The perturbation
operators are from Pauli-breit approximation:
RV
E∆
∑
=
−=
N
i
ik
P
c
H
1
4
2
8
1
ˆ
(kinetic energy correction) (8)
3
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