epraya.Jcalmulta#

Jcalmulta(maham, Expe, Nucl1='None', Nucl2='None')#

Determinates the spectrum for a two paramagnetic centers system. Follows the same logic from the function Jpowder, but adapted to the two centers system.

Parameters:

  • maham (Class) – Container for the hamiltonian parameters of the two systems.

  • Expe (Class) – Container for the experimental conditions.

  • Nucl1 (str) – Isotope of the first system. Can be the quantum number and the element or only the element (‘55Mn’ or ‘Mn’)

  • Nucl2 (str) – Isotope of the second system. Can be the quantum number and the element or only the element (‘55Mn’ or ‘Mn’)

  • graph (Bool) – PLots the spectrum of the multisystem.

Returns:

  • fielde (jax.np.array) – Array of the magnetic field.

  • specs (jax.np.array) – Array of the counts of the spectrum.

Example

>>> import matplotlib.pyplot as plt
>>> import epraya as epr
>>> import numpy as np
>>> Ham,Exp,_=epr.Jmstart()
>>> Ham.S1=3/2
>>> Ham.I1=1
>>> Ham.S2=1
>>> Ham.I2=1
>>> Ham.g1=np.array([2.003, 2, 2])
>>> Ham.g2=np.array([1.5, 1.5, 1.5])
>>> Ham.A1=np.array([200, 200, 200])  #Hyperfine constant
>>> Ham.D1=np.array([800,200])      #Zero field D and E
>>> Ham.Hpp=[0,10]
>>> Exp.Freq=9.4
>>> Exp.Points=4096
>>> Exp.Temperature=300
>>> Exp.Frange=[0,800]
>>> print(epr.Jcalmulta(Ham,Exp))
(Array([0.00000000e+00, 1.95360195e-01, 3.90720391e-01, ...,
7.99609280e+02, 7.99804640e+02, 8.00000000e+02], dtype=float64),
Array([-1.51007828e-21,  1.87293010e-21,  1.91587492e-21, ...,
3.33966042e-21,  1.25252035e-21, -1.98829450e-21], dtype=float64))