[molpro-user] question

Maikel maikel at qta.qui.uc.pt
Tue Mar 23 16:58:59 GMT 2004

In some books I have found  for the quadrupolar moment Q=1/2(Integral) 
and in others Q=Integral,  in atomic units. I would like to know wich 
one  is used in Molpro package.

Maikel Ballester

Integral =\int (3r_ir_j-r^2\delta_i^j)\rho(\overrightarrow r) 
d^3\overrightarrow r

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