With this option, expectation values of the spin operators are evaluated for all pairs of and . Default is NOSCORR. The procedure is described by: G. Raos, J. Gerratt, D. L. Cooper and M. Raimondi, Chem. Phys. 186, 233-250 (1994); ibid, 251-273 (1994); D. L. Cooper, R. Ponec, T. Thorsteinsson and G. Raos, Int. J. Quant. Chem. 57, 501-518 (1996).
At present this analysis is only implemented for spin-coupled wavefunctions.