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Full CI Algorithm

It is easy to vectorize the formation of since each element can be written as independent of apart from multiplication by a factor . The vectorized algorithm for the evaluation of , adapted from reference [16], appears in Figure 5. An analogous algorithm can be used to obtain . However, we can also obtain for states by

 

as proven by Olsen   and co-workers [16].

  
Figure 5: Vectorized Algorithm for .

A fairly straightforward algorithm for evaluating is presented in Figure 6. The vectorized algorithm for the evaluation of is presented in Figure 7. This algorithm makes use of a gather and scatter operation to avoid indirect addressing.

  
Figure 6: Simple Algorithm for .

  
Figure 7: Vectorized Algorithm for .

For , an improvement to the algorithm can be made by utilizing an identity similar to equation ( 6.31). The ijklth component of is related to the klijth component via

 



This document is copyright 1996 by the author
Thu Jan 18 08:16:21 EST 1996