Heller E J
Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA.
Acc Chem Res. 2006 Feb;39(2):127-34. doi: 10.1021/ar040196y.
We discuss several semiclassical Gaussian wave packet approaches with emphasis on one that is not very well-known, that is, the off-center guiding approach. Off-center guiding of (thawed) Gaussian wave packets uses the same information as other Gaussian propagation schemes, that is, the full van Vleck determinant and multiple trajectories. It retains the well-known caustic smoothing property of Gaussians. The off-center guiding of Gaussians can handle hard chaos and other highly nonlinear situations, where the van Vleck propagator, for example, has over 30,000 separate branches.
我们讨论了几种半经典高斯波包方法，重点是一种不太为人所知的方法，即离中心引导方法。（解冻后的）高斯波包的离中心引导使用与其他高斯传播方案相同的信息，即完整的范弗莱克行列式和多条轨迹。它保留了高斯分布众所周知的焦散平滑特性。高斯波包的离中心引导可以处理硬混沌和其他高度非线性的情况，例如，在这些情况下范弗莱克传播子有超过30000个独立分支。
