简单金属团簇最低阶多极形变的半经典分析
Semiclassical analysis of the lowest-order multipole deformations of simple metal clusters
摘要：
我们用微扰半经典迹公式计算了含$90 \le N \le 550$原子的简单金属团簇在基态的三个最低阶多极（四极$\eps_2$、八极$\eps_3$和十六极$\eps_4$）形变.价电子的自洽平均场由一个轴向变形的腔来模拟，总能量的振荡部分用最短周期轨道半经典地计算。平均能量是从液滴模型中获得的，该模型根据钠金属的经验体积和表面性质进行调整。我们得到了很好的定性协议的量子力学计算结果使用Strutinsky的壳修正方法。
英文摘要：
We use a perturbative semiclassical trace formula to calculate the three lowest-order multipole (quadrupole $\eps_2$, octupole $\eps_3$, and hexadecapole $\eps_4$) deformations of simple metal clusters with $90 \le N \le 550$ atoms in their ground states. The self-consistent mean field of the valence electrons is modeled by an axially deformed cavity and the oscillating part of the total energy is calculated semiclassically using the shortest periodic orbits. The average energy is obtained from a liquid-drop model adjusted to the empirical bulk and surface properties of the sodium metal. We obtain good qualitative agreement with the results of quantum-mechanical calculations using Strutinsky's shell-correction method.
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