Bibliography

1

M. Yoshimine, The use of direct access devices in problems requiring the reordering of long lists of data, report RJ-555, IBM Research Laboratory, San Jose, California, 1969.

2

S. Wilson, in Electron Correlation in Atoms and Molecules, Vol. 1 of Methods in Computational Chemistry, edited by S. Wilson (Plenum, New York, 1987), Chap. 3, p. 251.

3

For the purposes of the integral transformation described here, it is not necessary to take advantage of the bra-ket permutational symmetry inherent in the Mulliken-ordered integrals.

4

This assumes that the indices are numbered beginning from 0, as is common in the C programming language. If the first index is instead numbered 1, the appropriate general formula would be p(p-1)/2 + q, if $p \geq q$.

5

This is true regardless of the numbering scheme used for the individual indices.