Galitskiy S A, Artemyev A N, Jänkälä K, Lagutin B M, Demekhin Ph V
Institut für Physik, Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, Germany.
Department of Physics, University of Oulu, P.O. Box 3000, 90014 Oulu, Finland.
J Chem Phys. 2015 Jan 21;142(3):034306. doi: 10.1063/1.4905722.
Cross sections and angular distribution parameters for the single-photon ionization of all electron orbitals of Li2-8 are systematically computed in a broad interval of the photoelectron kinetic energies for the energetically most stable geometry of each cluster. Calculations of the partial photoelectron continuum waves in clusters are carried out by the single center method within the Hartree-Fock approximation. We study photoionization cross sections per one electron and analyze in some details general trends in the photoionization of inner and outer shells with respect to the size and geometry of a cluster. The present differential cross sections computed for Li2 are in a good agreement with the available theoretical data, whereas those computed for Li3-8 clusters can be considered as theoretical predictions.
针对Li₂₋₈所有电子轨道的单光子电离，在每个团簇能量最稳定的几何结构下，于光电子动能的宽广区间内系统地计算了其截面和角分布参数。团簇中部分光电子连续波的计算是在Hartree-Fock近似下采用单中心方法进行的。我们研究了每个电子的光电离截面，并就团簇的大小和几何结构，详细分析了内壳层和外壳层光电离的一般趋势。目前为Li₂计算的微分截面与现有理论数据吻合良好，而对于Li₃₋₈团簇计算得到的微分截面可视为理论预测。
