next up previous contents index
Next: Average of high-spin states Up: Miscellaneous Previous: Valence states   Contents   Index


Totally symmetric singlets for 2 or (2nir-2) electrons

n = 2         a = 0        b = - nir    
n = (2nir - 2)         a = $\displaystyle {\frac{{n_{ir}(n_{ir}-2)}}{{(n_{ir}-1)^2}}}$    
    b = $\displaystyle {\frac{{n_{ir}(n_{ir}-3)}}{{(n_{ir}-1)^2}}}$    

This covers the 1S states of p2, p4, d2, d8, etc.



TURBOMOLE 15888