Processing math: 100%

 

 

 

Importance sampling

The total number of different relative distances rij is N(N1)/2. In a matrix storage format, the relative distances form a strictly upper triangular matrix

r(0r1,2r1,3r1,N0r2,3r2,N0rN1,N0000).

This applies to g=g(rij) as well.

In our algorithm we will move one particle at the time, say the kth-particle. This sampling will be seen to be particularly efficient when we are going to compute a Slater determinant.