MQDT

Class Methods

`__init__`()
`get_ionization_threshold`(core_ket[, unit])	Return the ionization threshold of the channel given by the core_ket in the desired unit.
`get_mqdt_models`(outer_channel)	Return a list of MQDT models for the outer_channel.

Class Attributes and Properties

`is_default`	Whether this MQDT is the default MQDT for the species.
`reference_ionization_threshold_au`	Reference ionization threshold in atomic units (Hartree).
`reference_ionization_threshold_tuple`	The reference ionization threshold, which is used to define the zero of energy for the MQDT models.
`tag`	The tag for these MQDT parameters.
`species`	The short name of the atomic species.
`ionization_threshold_dict`	Dictionary containing the ionization thresholds for the different core states.
`model_classes`	List of the MQDT `FModel` models available for this species.

class rydstate.species.MQDT[source]

Base class for all MQDT classes.

Parameters:

args (object)
kwargs (object)

Return type:

CachedT

species: ClassVar[str]: The short name of the atomic species.

tag: ClassVar[str | None] = None: The tag for these MQDT parameters.

is_default: ClassVar[bool] = False: Whether this MQDT is the default MQDT for the species.

ionization_threshold_dict: ClassVar[dict[CoreKet, tuple[float, str]]]: Dictionary containing the ionization thresholds for the different core states. The thresholds are given in the form of a tuple (ionization_threshold, unit).

reference_ionization_threshold_tuple: ClassVar[tuple[float, str] | None] = None: The reference ionization threshold, which is used to define the zero of energy for the MQDT models. If None, it is defined as the smallest ionization threshold in the ionization_threshold_dict.

model_classes: ClassVar[list[type[FModel]]]

List of the MQDT FModel models available for this species.

models: list[FModel]

get_ionization_threshold(core_ket, unit='hartree')[source]

Return the ionization threshold of the channel given by the core_ket in the desired unit.

Overloads:

self, core_ket (CoreKet), unit (None) → PintFloat
self, core_ket (CoreKet), unit (str) → float

Parameters:

core_ket (CoreKet) – The core ket for which to return the ionization threshold.
unit (str | None) – Desired unit for the ionization threshold. Default is atomic units “hartree”.

Returns:

Ionization threshold in the desired unit.

Return type:

PlainQuantity[float] | float

property reference_ionization_threshold_au: float

Reference ionization threshold in atomic units (Hartree).

If no reference_ionization_threshold_tuple is defined, we define the reference ionization threshold as the smallest ionization threshold in the ionization_threshold_dict.

get_mqdt_models(outer_channel)[source]

Return a list of MQDT models for the outer_channel.

Return type:: list[FModel]
Parameters:: outer_channel (AngularKetFJ[Any])