Temperature parameter in pepper

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Encaita
Newbie
Posts: 2
Joined: Tue Oct 19, 2021 5:00 am

Temperature parameter in pepper

Post by Encaita »

Hello.
When using pepper and defining the temperature parameter. I'd like to know if by adding the temperature easyspin takes into account possible thermal
activation processes for the temperature dependence? or is only taking into account the Boltzmann distribution? If the temperature dependence of my spectra doesn't only depend on Boltzmann distribution, can I take into account this extra factor by letting the weights vary with temperature?

Thanks in advance!

Stefan Stoll
EasySpin Creator
Posts: 1057
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Temperature parameter in pepper

Post by Stefan Stoll »

It only takes into account the Boltzmann distribution, ie. it calculates relative populations of all the states in a spin system based on temperature and the relative energies. Temperature-dependent processes other than intra-system thermalization need to be modeled outside pepper.

Encaita
Newbie
Posts: 2
Joined: Tue Oct 19, 2021 5:00 am

Re: Temperature parameter in pepper

Post by Encaita »

Thanks!

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