Code Documentation

dieke.makeMatricies(nf)

Returns set of matricies from which crystal field Hamiltonians can be made.

Parameters:

nf (int) – The number of f electrons (e.g. set nf = 2 for Pr3+)

Returns:

A tuple of goodies.

Return type:

tuple

Notes

The returned tuple consists of:

LSterms,

A list of strings which are labels for the different terms for this ion for praseodymium this is: ['1 3P', '1 3F', '1 3H', '1 1S', '1 1D', '1 1G', '1 1I']

Uk,

A list of the three U_k matricies in terms of these terms.

LSJlevels,

A list of labels for the LSJ levels for this ion. For praseodymium this is like ['1 3P  0  ', '1 1S  0  ', ...

freeion_mat

A dictionary of free ion matricies in terms of those levels the keys are ['P2', 'F2', 'F4', 'P4', 'F6', '.01ALPH', 'M4', 'BETA', 'ALPHA', 'M0', 'M2', 'P6', 'ZETA', 'GAMMA']

LSJmJstates

list labels for the states labeled by L,S,J,mJ. For Pr3+ ['1 3P  0     0  ', '1 1S  0     0  ', '1 3P  1    -1  ', '1 3P  1     0  ', ...

full_freeion_mat

The free ion matricies again but now in terms of L,S,J,mJ.

Ckq

The Ckq matricies as a dictionary, use the tuple (k,q) as the key to get the correponding matrix.

Example

See crystal_field_example.py in the examples folder

dieke.read_crosswhite(nf)

Returns set of matricies from the crosswhite datafiles.

Parameters:

nf (int) – The number of f electrons (e.g. set nf = 2 for Pr3+)

Returns:

A tuple of goodies. (LSJlevels, fi_mat, LSterms, Uk, V)

Return type:

tuple

Notes

The returned tuple consists of:

LSterms,

A list of strings which are labels for the different terms for this ion for praseodymium this is: ['1 3P', '1 3F', '1 3H', '1 1S', '1 1D', '1 1G', '1 1I']

Uk,

A list of the three U_k matricies in terms of these terms.

V,

V in terms of these terms.

LSJlevels,

A list of labels for the LSJ levels for this ion. For praseodymium this is like ['1 3P  0  ', '1 1S  0  ', ...

freeion_mat

A dictionary of free ion matricies in terms of those levels the keys are ['P2', 'F2', 'F4', 'P4', 'F6', '.01ALPH', 'M4', 'BETA', 'ALPHA', 'M0', 'M2', 'P6', 'ZETA', 'GAMMA']

Examples

See free_ion_example.py in the examples folder.