CCL: Visualization of quadrupole moments
- From: "Anselm HC Horn"
- Subject: CCL: Visualization of quadrupole moments
Sent to CCL by: "Anselm HC Horn"
I wonder whether there is a way to easily visualize arbitrary quadrupole
For dipoles (x,y,z component) a simple arrow (vector) is sufficient, as used in
many visualization programs. However, quadrupole moments consist of a traceless
symmetrical 3x3 matrix, so there are six different values (Qxx, Qyy, Qzz, Qxy,
In textbooks quadrupole moments of planar molecules are often represented by a
set of four charges around a center. So, a possible solution could be to extend
this set of charges; but this results in a cloud of charges (the size of which
could be represented by different sphere radii), that seems unsuited for
Any hints and ideas are welcome!
Computer Chemie Centrum