Talk:Molecular Simulation/Quadrupole-Quadrupole Interactions

a constant factor
my books (a photocopy of an old article on J. Chem. Ed.; unfortunately I am aged and I have no more access to the library of the site where I worked) differ by a constant factor. I feel that there might be a difference in the definition of multipole moment (in the 1990s I had troubles of this kind in reconciling data from two different sources). An explicit definition might be useful. pietro 151.29.78.113 (discuss) 06:48, 28 April 2024 (UTC)


 * The statement that the quadrupole moment of benzene arises from the pi-bonds seems to me rather misleading, because recalls the image that the pi-orbitals amplitude changes sign on the two sides of the molecular plane. I feel best to say that is due to the fact that the outer ring (H) is + and the inner (C) is -. pietro 151.29.78.113 (discuss) 08:51, 28 April 2024 (UTC)
 * There is also a mu instead of theta in the charge-quadrupole interaction.