Boltzmann populations

[thanasis]

I am looking for a way to export Boltzmann populations of a certain system, at a certain temperature and under a specific magnetic field vector.

I am not so much interested in the population differences of two particular levels that concern a specific transition (I believe that resfields does that: viewtopic.php?f=3&t=173), but for a list of the populations of all levels of the system under those conditions.

I haven't found how to do that, although it is most certainly among the basic ES functions.

Thanks in advance!

[Stefan Stoll]

Here is a quick example:

Code: Select all

clear, clc
Sys.S = 3/2;
Sys.D = 3000; % MHz
B = [0 1 1]*1200; % mT
T = 10; % K
H = sham(Sys,B);
E = eig(H); % MHz
pop = exp(-E*1e6*planck/boltzm/T);
pop = pop/sum(pop)

[thanasis]

Thanks Stefan,

This worked perfectly!