coupled_to_uncoupled_basis#

DensityOfStates.coupled_to_uncoupled_basis()[source]#

Converts coupled projections to uncoupled projections. This assumes the orbitals are order by

 1coupled_orbitals = [
 2                {"l": 's', "j": 0.5, "m": -0.5},
 3                {"l": 's', "j": 0.5, "m": 0.5},
 4
 5                {"l": 'p', "j": 0.5, "m": -0.5},
 6                {"l": 'p', "j": 0.5, "m": 0.5},
 7
 8                {"l": 'p', "j": 1.5, "m": -1.5},
 9                {"l": 'p', "j": 1.5, "m": -0.5},
10                {"l": 'p', "j": 1.5, "m": -0.5},
11                {"l": 'p', "j": 1.5, "m": 1.5},
12
13                {"l": 'd', "j": 1.5, "m": -1.5},
14                {"l": 'd', "j": 1.5, "m": -0.5},
15                {"l": 'd', "j": 1.5, "m": -0.5},
16                {"l": 'd', "j": 1.5, "m": 1.5},
17
18                {"l": 'd', "j": 2.5, "m": -2.5},
19                {"l": 'd', "j": 2.5, "m": -1.5},
20                {"l": 'd', "j": 2.5, "m": -0.5},
21                {"l": 'd', "j": 2.5, "m": 0.5},
22                {"l": 'd', "j": 2.5, "m": 1.5},
23                {"l": 'd', "j": 2.5, "m": 2.5},
24            ]
25uncoupled_orbitals = [
26            {"l": 0, "m": 1},
27            {"l": 1, "m": 3},
28            {"l": 1, "m": 1},
29            {"l": 1, "m": 2},
30            {"l": 2, "m": 5},
31            {"l": 2, "m": 3},
32            {"l": 2, "m": 1},
33            {"l": 2, "m": 2},
34            {"l": 2, "m": 4},
35        ]
Returns:

ret – None

Return type:

None