From NWChem
Viewed 6420 times, With a total of 1 Posts
|
|
|
|
| 10:51:47 AM PDT - Fri, Jun 17th 2011 |
|
Basically, this thing is dimensionless, and renormalized to "1". But NWChem gives something like 0.0xxx, I don't believe these is the renormalized version.
Anyone know this? Thank you!
|
|
|
|
|
|
|
| 12:16:31 PM PDT - Thu, Jul 7th 2011 |
|
Hi,
Oscillator strengths are dimensionless. To compare with experiments you can write this in terms of the integrated absorption coefficient (alpha)
f = (4.32x10^-09 moles cm^2 liter^-1) * alpha
With this strong transitions range from ~ 1.0 to 0 for forbidden ones.
Hope this helps.
Best,
-Niri
|
|
|
AWC's:
2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC
