Database

Class Methods

__init__([database_file])	Initialize database connection.
get_global_instance()	Return the global database instance.
get_model_potential_parameters(species, l)	Get model potential parameters.
get_quantum_defect_parameters(species, l, j)	Get Rydberg-Ritz parameters.
set_global_instance(instance)	Set the global database instance.

class ryd_numerov.model.Database(database_file=None)

Initialize database connection.

Parameters:

database_file (Optional[str]) – Optional path to SQLite database file. If None, use the default database.sql in the same directory as this file.

classmethod get_global_instance()

Return the global database instance.

Return type:

Database

classmethod set_global_instance(instance)

Set the global database instance.

Return type:

None

Parameters:

instance (Database)

get_model_potential_parameters(species, l)

Get model potential parameters.

Parameters:

• species (str) – Atomic species

• l (int) – Angular momentum quantum number

Returns:

ac, Z, a1, a2, a3, a4, rc If no match is found for l, returns parameters for largest available l.

Return type:

The model potential parameters for the given species and l, i.e.

get_quantum_defect_parameters(species, l, j)

Get Rydberg-Ritz parameters.

Parameters:

• species (str) – Atomic species

• l (int) – Angular momentum quantum number

• j (float) – Total angular momentum quantum number

Returns:

d0, d2, d4, d6, d8, Ry If no match is found for l and j, returns d_i = 0 and the normal Ry.

Return type:

The quantum defect parameters for the given species, l and j, i.e.