标题： 束缚和关联效应在Xe@C60广义振子强度中的影响 显示英文标题

标题： Confinement and correlation effects in the Xe@C60 generalized oscillator strengths

摘要： 束缚和电子相关性对内嵌原子A@C60的广义振子强度（GOS's）的影响被理论研究，以Xe@C60的4d、5s和5p快电子碰撞电离为例进行研究。 计算在转移到原子的能量区域进行，超出4d阈值，omega = 75--175 eV。 计算方法结合了平面波玻恩近似、哈特里-福克近似以及存在C60束缚时的随机相位近似与交换作用。 通过球形δ函数类势以及方形井势来模拟束缚，以评估C60笼的有限厚度对Xe@C60 GOS's的影响。 与自由原子相比，束缚显著地扭曲了4d、5p和5s GOS's。 在计算的GOS's中，揭示了多极跃迁对偶极跃迁之外的重要贡献，在某些情况下尤为明显。 展示了在计算Xe@C60 5s和5p GOS's时考虑电子相关性的重要性。 显示英文摘要

摘要： The impact of both confinement and electron correlation on generalized oscillator strengths (GOS's) of endohedral atoms, A@C60, is theoretically studied choosing the Xe@C60 4d, 5s, and 5p fast electron impact ionization as the case study. Calculations are performed in the transferred to the atom energy region beyond the 4d threshold, omega = 75--175 eV. The calculation methodology combines the plane wave Born approximation, Hartree-Fock approximation, and random phase approximation with exchange in the presence of the C60 confinement. The confinement is modeled by a spherical delta-function-like potential as well as by a square well potential to evaluate the effect of the finite thickness of the C60 cage on the Xe@C60 GOS's. Dramatic distortion of the 4d, 5p, and 5s GOS's by the confinement is demonstrated, compared to the free atom. Considerable contributions of multipolar transitions beyond dipole transitions in the calculated GOS's is revealed, in some instances. The vitality of accounting for electron correlation in calculation of the Xe@C60 5s and 5p GOS's is shown.