کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5376622 | 1504320 | 2007 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Semiclassical approximation with zero velocity trajectories
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
We present a new semiclassical method that yields an approximation to the quantum mechanical wavefunction at a fixed, predetermined position. In the approach, a hierarchy of ODEs are solved along a trajectory with zero velocity. The new approximation is local, both literally and from a quantum mechanical point of view, in the sense that neighboring trajectories do not communicate with each other. The approach is readily extended to imaginary time propagation and is particularly useful for the calculation of quantities where only local information is required. We present two applications: the calculation of tunneling probabilities and the calculation of low energy eigenvalues. In both applications we obtain excellent agrement with the exact quantum mechanics, with a single trajectory propagation.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 338, Issues 2â3, 25 September 2007, Pages 106-112
Journal: Chemical Physics - Volume 338, Issues 2â3, 25 September 2007, Pages 106-112
نویسندگان
Yair Goldfarb, Ilan Degani, David J. Tannor,