Search found 2 matches

by Devout_Spin
Mon Apr 15, 2024 4:03 am
Forum: General forum
Topic: Intensity from resfreqs output vs explicit calculation
Replies: 3
Views: 327

Re: Intensity from resfreqs output vs explicit calculation

Stefan Stoll wrote: Tue Mar 26, 2024 9:54 pm

If no temperature is given, EasySpin uses a scaling factor of 1/(2*prod(I+1), where I the vector of all nuclear spins in the system. For a single 31P nucleus, this gives the additional factor of 1/2.

What does this scaling factor account for when no temperature is given?

by Devout_Spin
Fri Mar 15, 2024 4:15 am
Forum: General forum
Topic: Intensity from resfreqs output vs explicit calculation
Replies: 3
Views: 327

Intensity from resfreqs output vs explicit calculation

I'm trying to find transition intensities in frequency-domain for spin system with S=1/2, I=1/2. By explicit calculations from Fermi's golden rule I get about 2x larger intensity than from resfreqs_matrix output. Could anyone help explain why is there a discrepancy? clear, clc % Spin System Sys.g = ...