Subject: Scaling Factors of Vibratio

From: "Richard Bone" <[email-masked]>
Date: 11 Aug 1994 10:48:09 -0800

Subject:      Scaling Factors of Vibrational Frequencies
Those who are keen on empirical corrections to ab initio calculated
frequencies might be interested in the discussion in the following
reference:

R. S. Grev, C. L. Janssen and H. F. Schaefer, III,
J. Chem. Phys., 95,  5128, (1991)

This paper highlights possible sources of error in the use of such
scaling factors when calculating 'Zero-Point' Vibrational Energies.

Richard Bone

__________________________________________________________
 
 Richard G. A. Bone, PhD.
 Computational Chemist
 Terrapin Technologies, Inc.
 South San Francisco
 USA
 
 E-mail  [email-masked]