epraya.Multham#

class Multham(Mulham=<factory>, Amix=<factory>, Xmix=<factory>)#

Bases: object

WARNING: Must be use with the function Start(num), not directly.

Container class for the hamiltonial parameters of multisystems. Must be initialized with a variable like Ham. For the nth-system, it can be change using Ham.SN=1/2.

Parameters:

  • S (float) – Spin operator value ex. (1/2,0,3/2).

  • g (array_like or float) – g value of system, can be float, for isotropic case or array for anisotropic.

  • I (float) – Nuclear spin value

  • L (float) – Angular momentum

  • A (array_like or float) – Hyperfine constant, float for isotropic and array for anisotropic

  • Q (array_like or float) – Quadrupole nuclear interaction constant, float for isotropic and array for anisotropic

  • D (array_like) – Zero field interaction constants D and E, two value array [0,0]

  • Bk2 (array_like) – Stevens k=-/+2 constants

  • Bk4 (array_like) – Stevens k=-/+4 constants

  • Bk6 (array_like) – Stevens k=-/+6 constants

  • lc (float) – Spin-orbit interaction constant

  • Hpp (array_like) – Peak to peak distance for the voigtian function using [Hg,Hl], for gaussian and lorentzian distance

  • eta (float) – weight of the gaussian contribution to the voigtian function, from 0 to 1. If eta is 0, the function is lorentzian and if eta is 1, the function is gaussian.

  • weight (float) – Dummy variable by the moment

  • Nucl (string) – Isotope of the sample. Can be the quantum number and the element or only the element (‘55Mn’ or ‘Mn’)

  • An_m (array_like) – Hipefine interaction between the spin n and nuclear spin m.

  • Xn_m (array_like) – Electron-Electron interaction between spins n and m.

Example

>>> import epraya as epr
>>> Ham, _ , _ = epr.Start(2)
>>> Ham.S1=1
>>> Ham.I1=1/2
>>> Ham.g1=[2.003,1.8,1.5]
>>> Ham.S2=2
>>> Ham.I2=1
>>> Ham.g2=[2.003,1.8,1.5]
>>> Ham.A1_2=[200,300,200]
>>> Ham.X1_2=[500,1000,500]
>>> print(Ham)
Multham(Mulham=[Hval(S=1, g=[2.003, 1.8, 1.5], I=0.5,
L=0.0, A=array([0, 0, 0]), Q=array([0, 0, 0]),
D=array([0, 0]), Bk2=[0, 0, 0, 0, 0],
Bk4=[0, 0, 0, 0, 0, 0, 0, 0, 0],
Bk6=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
lc=0.0, Hpp=array([0, 1]), eta=0.5,
weight=0.0, Nucl='None'),
Hval(S=2, g=[2.003, 1.8, 1.5], I=1, L=0.0,
A=array([0, 0, 0]), Q=array([0, 0, 0]),
D=array([0, 0]), Bk2=[0, 0, 0, 0, 0],
Bk4=[0, 0, 0, 0, 0, 0, 0, 0, 0],
Bk6=[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
lc=0.0, Hpp=array([0, 1]), eta=0.5, weight=0.0,
Nucl='None')], Amix={(0, 1):
array([200, 300, 200])},
Xmix={(0, 1): array([ 500, 1000,  500])})