CCL: dimensionless normal coordinates
- From: "Jim Kress"
<ccl_nospam[*]kressworks.com>
- Subject: CCL: dimensionless normal coordinates
- Date: Sun, 26 Apr 2009 13:22:03 -0400
Sent to CCL by: "Jim Kress" [ccl_nospam++kressworks.com]
Would anyone please point me to a reference (or provide me with a methodology,
algorithm, or explanation) on how to calculate dimensionless normal coordinates
given that I have the molecular hessian, force constant matrix and the
vibrational frequencies for two states of a molecule?
Thanks.
Jim