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SDVR of the Free Particle Propagator

We now give the sinc-function based DVR of the power series Green s function. For simplicity, we restrict our attention to a one-dimensional system. The multidimensional generalization is straightforward, and will be given afterwards. Letting [Pg.49]

To obtain the SDVR of the free particle propagator, one takes the infinite N limit of Eq. (3.23) keeping Ax fixed, giving [97] [Pg.50]

With the variable transformation p = firry/Ax, the free particle propagator in Eq. (3.24) takes on the more familiar form [Pg.50]

The matrix element in Eq. (3.25) is noteworthy in three respects. First, it is the product of an integration weight and a finite grid spacing representation of the kernel. This product arises because DVR includes integration weights in the [Pg.50]

erf(2) is the error function of a complex variable [98]. The third, and perhaps most intriguing aspect of Eqs. (3.25), (3.27), and (3.28) is that they have been derived before in a completely different context by Makri [69]. In particular, she was seeking a well behaved (i.e. less oscillatory) representation of the short-time kernel for use in real time path integral Monte Carlo calculations [63-68, 70-76] The advantage gained from the matrix element in Eqs. (3.27) and (3.28) derives from the asymptotic behavior of the smoothing function [69, 81], namely [Pg.51]


See other pages where SDVR of the Free Particle Propagator is mentioned: [Pg.49]    [Pg.50]    [Pg.51]   


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