Electron-impact excitation and ionization of atomic calcium at intermediate energies
Electron-impact excitation and ionization of atomic calcium at intermediate energies
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DOI：
10.1103/physreva.99.012706
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发表时间：
2018-11
影响因子：
2.9
通讯作者：
O. Zatsarinny;H. Parker;K. Bartschat
中科院分区：
文献类型：
--
作者：
O. Zatsarinny;H. Parker;K. Bartschat
我们通过使用收敛 $B$-样条 $R$-矩阵方法对电子与钙原子的碰撞进行了全面的研究。获得了钙的最低 39 个物理状态（$3{p}^{6}4s5g\phantom{\rule{4pt}{0ex}}^{3,1}G$ 除外）到 $3{p}^{6}4s8s\phantom{\rule{4pt}{0ex}}^{1}S$ 状态之间的所有转变的弹性、激发和电离截面，入射电子能量范围从阈值到100电子伏特。采用具有非正交项相关轨道的多配置 Hartree-Fock 方法来生成伪目标状态的精确波函数。使用包括 39 个物理状态加上 444 个钙的伪目标状态在内的紧密耦合扩展来检查结果对与目标连续体耦合的敏感性。从大规模计算中获得的横截面数据集预计对于大多数当前涉及中性钙的建模应用来说足够准确和全面。
We present a comprehensive study of electron collisions with calcium atoms by using the convergent $B$-spline $R$-matrix method. Elastic, excitation, and ionization cross sections were obtained for all transitions between the lowest 39 physical states of calcium (except for $3{p}^{6}4s5g\phantom{\rule{4pt}{0ex}}^{3,1}G$) up to the $3{p}^{6}4s8s\phantom{\rule{4pt}{0ex}}^{1}S$ state, for incident electron energies ranging from threshold to 100 eV. A multiconfiguration Hartree-Fock method with nonorthogonal term-dependent orbitals was employed to generate accurate wave functions for the pseudo target states. Close-coupling expansions including the 39 physical states plus 444 pseudo target states of calcium were used to check the sensitivity of the results to coupling to the target continuum. The cross-section dataset obtained from the large-scale calculations is expected to be sufficiently accurate and comprehensive for most current modeling applications involving neutral calcium.