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QT's generalization to arbitrary Hamiltonian systems

If the configuration space is D dimensional, then there are 2D dimensions in the phase space. It can be shown that in a Hamiltonian system, the number B of stable and unstable directions is equal, although B < D is possible.gif At time tex2html_wrap_inline2262 , let tex2html_wrap_inline2766 represent D unstable unit vectors, and let tex2html_wrap_inline2770 represent D stable unit vectors. For any particular timestep, it will be convenient if the unstable vectors are orthonormal to each other, and the stable vectors are orthonormal to each other. However, the stable and unstable vectors together will not in general form an orthogonal system.

The vectors are evolved as in the two dimensional case, except using Gram-Schmidt orthonormalization to produce two sets of D-orthonormal vectors at each timestep. Arbitrary orthonormal bases are chosen, tex2html_wrap_inline2776 at time tex2html_wrap_inline2668 , and tex2html_wrap_inline2780 at time tex2html_wrap_inline2782 , and then evolved according to

displaymath2784

At each step i, two Gram-Schmidt orthonormalizations are done: one on tex2html_wrap_inline2788 to produce tex2html_wrap_inline2790 , and another on tex2html_wrap_inline2792 to produce tex2html_wrap_inline2770 . After a few e-folding times, tex2html_wrap_inline2798 points in the most unstable direction at step i, tex2html_wrap_inline2802 points in the second most unstable direction, etc.  Likewise, tex2html_wrap_inline2804 points in the most stable direction at time i, tex2html_wrap_inline2808 points in the second most stable direction, etc.

The multidimensional generalization of (10) is the obvious

  equation483

To convert the 1-step error at step i from phase-space co-ordinates tex2html_wrap_inline2812 to the stable and unstable basis tex2html_wrap_inline2814 , one constructs the matrix tex2html_wrap_inline2816 whose columns are the unstable and stable unit vectors, tex2html_wrap_inline2818 , and solves the system tex2html_wrap_inline2820 .

From (8) and (16) the equation for the correction co-efficients in the unstable subspace at step i+1 is

displaymath2824

which are projected out along tex2html_wrap_inline2826 producing

displaymath2828

where the scalar tex2html_wrap_inline2830 , and the Gram-Schmidt process ensures tex2html_wrap_inline2832 if j < k. As stated previously, the boundary condition requires the unstable component of the corrections to be small at timestep S, and their stable components to be small at timestep 0. For simplicity we take tex2html_wrap_inline2838 , as did QT, and the co-efficients are computed backward using

displaymath2840

We first solve for tex2html_wrap_inline2842 , which does not require knowledge of the other tex2html_wrap_inline2722 co-efficients, then solve for tex2html_wrap_inline2846 , etc.

Again from (8) and (16), the equation for the correction co-efficients in the stable subspace at timestep i is

displaymath2850

which are projected out along tex2html_wrap_inline2852 producing

displaymath2854

where tex2html_wrap_inline2856 , and the Gram-Schmidt process ensures tex2html_wrap_inline2858 if j < k. The boundary condition at step 0 is tex2html_wrap_inline2862 , and the co-efficients are computed forward using

displaymath2864

As with the unstable corrections, we first compute tex2html_wrap_inline2866 which does not require knowledge of the other tex2html_wrap_inline2724 co-efficients, then we compute tex2html_wrap_inline2870 , etc.


next up previous
Next: Discussion and Results of Up: Refinement of a numerical Previous: Refinement of a numerical

Wayne Hayes
Fri Dec 27 17:41:39 EST 1996

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