Group Theory Approach for Vibrational Analysis

From NWChem

Viewed 367 times, With a total of 0 Posts
Jump to: navigation, search

Just Got Here
Threads 3
Posts 3
I would like to determine the irreducible representations of normal modes for Raman analysis of a variety of molecules to large to feasibly calculate the Raman tensor. I do not see that NWChem does this anywhere, am I missing it in the documentation or is there another program that others might suggest after calculating their vibrational spectra with NWChem?

Forum >> NWChem's corner >> NWChem functionality

Who's here now Members 0 Guests 1 Bots/Crawler 0

AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC