Table 2.

Values of c_apq associated with multipole distribution representations of monatomic differential overlap distributions

|pq〉	Index a	capq
|ss〉	1	1
|spx〉	1	½
|spx〉	2	−½
|spy〉	1	½
|spy〉	2	−½
|spz〉	1	½
|spz〉	2	−½
|pxpx〉	1	1
|pxpy〉	1	0
|pxpz〉	1	0
|pypy〉	1	1
|pypz〉	1	0
|pzpz〉	1	1

This table assumes that quadrupole interactions are neglected for differential overlap between atoms on separate monomers; Table 3 of the Appendix gives the additional rows that one should add if quadrupole interactions are included (although preliminary studies have indicated that this probably will not be necessary; see footnote a of Table 3)