Extraction of tunneling splittings from a real time semiclassical propagation
Extraction of tunneling splittings from a real time semiclassical propagation
复制标题
从实时半经典传播中提取隧道分裂
DOI：
10.1063/1.476416
复制
发表时间：
1998
影响因子：
4.4
通讯作者：
M. Ovchinnikov
中科院分区：
文献类型：
--
作者：
V. Mandelshtam;M. Ovchinnikov
是否可以从实时半经典传播中恢复隧道效应这一长期存在的问题得到了解决。即使在对称一维和二维双阱势垒以下的非常低的能量下，也可以通过滤波器对角化方法使用时间互相关矩阵的谐波反转来准确计算隧道分裂。时间传播是使用 Herman-Kluk 传播器进行的。
The long-standing question of whether the tunneling effects can be recovered from a real time semiclassical propagation is addressed. Even at very low energies below the barrier for symmetric one- and two-dimensional double wells the tunneling splittings are accurately computed using harmonic inversion of the time cross-correlation matrix by the filter-diagonalization method. The time propagation is carried out using the Herman–Kluk propagator.