tbplas.SOCTable2
- class tbplas.SOCTable2
Hard-coded spin-orbital coupling term table, taking from https://journals.aps.org/prb/abstract/10.1103/PhysRevB.82.245412
- _data
soc coupling matrices
- Type:
Dict[Tuple[str, str], np.ndarray]
- _orbital_labels
labels of atomic orbitals
- Type:
Set[str]
- _spin_labels
directions of spins
- Type:
Set[str]
- __init__()
Methods
__init__()eval([label_i, spin_i, label_j, spin_j])Evaluate the matrix element <i,s_i|l*s|j,s_j>.
- __init__()
- eval(label_i: str = 's', spin_i: str = 'up', label_j: str = 's', spin_j: str = 'down') complex
Evaluate the matrix element <i,s_i|l*s|j,s_j>.
- Parameters:
label_i – orbital label of bra
spin_i – spin direction of bra
label_j – orbital label of ket
spin_j – spin direction of ket
- Returns:
matrix element in h_bar**2
- Raises:
ValueError – if orbital labels or spin directions are illegal
- __weakref__
list of weak references to the object (if defined)