【摘要】 在周期性边界条件下 ,利用平面波展开计算了T型量子线的电子结构 .通过构造能级的拟合公式 ,由小数目平面波展开得到的能量值求得原来只能借助大数目平面波展开才能得到的能量值 ,避免了大型矩阵的对角化 ,并给出了计算实例 .更多还原

【Abstract】 Using the plane wave expansion,the electronic structures of Tshaped quantum wires are studied under the periodic boundary condition.A fitting formula is proposed,which is made up in terms of the energies obtained by small number plane wave expansion.With the formula,the energy levels that are difficult to calculate by large number plane wave expansion method are obtained easily. A numerical example is given as well.更多还原