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首页> 外文期刊>The Journal of Chemical Physics >Globally uniform semiclassical wave functions for multidimensional systems
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Globally uniform semiclassical wave functions for multidimensional systems

机译:多维系统的全局一致的半经典波动函数

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The globally uniform semiclassical approximation for energy eigenstates developed by D. Zor and K. G. Kay [Phys. Rev. Lett. 76, 1990 (1996)] is derived explicitly for the case of multidimensional systems and is applied to two test cases. The adiabatic switching approximation is used to obtain various quantities that enter the semiclassical expression. Two formulations of the method are examined: one requiring several trajectories for each desired state and another requiring only a single trajectory per state. The multitrajectory version yields accurate results for all states investigated (overlap between semiclassical and quantum eigenstates >0.98), including some influenced by classical chaos. The single-trajectory treatment, however, is more efficient, gives accurate results for regular states, and is even applicable for certain chaotic states, although the multiple-trajectory method is preferred in such cases. Despite the substantial resemblance of the present theory to the frozen Gaussian approximation (FGA), it is a true semiclassical approximation and is found to produce wave functions that are significantly more accurate than those obtained from the FGA for all states examined. (C) 1998 American Institute of Physics. [References: 57]
机译:D. Zor和K. G. Kay [物理学报,牧师76,1990(1996)]是针对多维系统的情况而明确推导​​的,并应用于两个测试用例。绝热切换近似用于获得输入半经典表达式的各种量。检查了该方法的两种公式:一种对于每个所需状态需要多个轨迹,而另一种每个状态仅需要一条轨迹。对于所研究的所有状态(半经典状态和量子本征状态之间的重叠> 0.98),多轨迹版本都能产生准确的结果,其中包括一些受经典混沌影响的状态。但是,单轨迹处理更有效,可以为常规状态提供准确的结果,甚至可以应用于某些混沌状态,尽管在这种情况下首选多轨迹方法。尽管本理论与冻结的高斯近似(FGA)非常相似,但它是真正的半经典近似,并且发现它产生的波函数比从FGA获得的所有检查状态的波函数都精确得多。 (C)1998美国物理研究所。 [参考:57]

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