ElementProperties

Class Methods

`__init__`()
`get_corrected_rydberg_constant`([unit])

Class Attributes and Properties

`additional_allowed_shells`	Additional allowed shells (n, l), which (n, l) is smaller than the ground state shell.
`reduced_mass_au`	The reduced mass mu in atomic units.
`s_c`	Total spin of the core electrons (0 for alkali atoms, 0.5 for alkaline earth atoms).
`s_r`	Total spin of the rydberg electron (always 0.5).
`species`	The short name of the atomic species.
`Z`	Atomic number of the species.
`i_c`	Nuclear spin.
`number_valence_electrons`	Number of valence electrons (i.e. 1 for alkali atoms and 2 for alkaline earth atoms).
`corrected_rydberg_constant`	Corrected Rydberg constant stored as a tuple of the form (value, unit) for lazy unit conversion.
`ground_state_shell`	Shell (n, l) describing the electronic ground state configuration.
`core_electron_configuration`	Electron configuration of the core electrons, e.g. 4p6 for Rb or 5s for Sr.
`nuclear_dipole`	Nuclear dipole moment of the species.

class rydstate.species.ElementProperties(*args: object, **kwargs: object)[source]

Base class for all element properties classes.

For the electronic ground state configurations and sorted shells, see e.g. https://www.webelements.com/atoms.html

Parameters:

Return type:

CachedT

number_valence_electrons: ClassVar[int]: Number of valence electrons (i.e. 1 for alkali atoms and 2 for alkaline earth atoms).

corrected_rydberg_constant: ClassVar[tuple[float, str]]: Corrected Rydberg constant stored as a tuple of the form (value, unit) for lazy unit conversion.

ground_state_shell: ClassVar[tuple[int, int]]: Shell (n, l) describing the electronic ground state configuration.

additional_allowed_shells: ClassVar[list[tuple[int, int]]] = []: Additional allowed shells (n, l), which (n, l) is smaller than the ground state shell.

core_electron_configuration: ClassVar[str]: Electron configuration of the core electrons, e.g. 4p6 for Rb or 5s for Sr.

property s_c: float: Total spin of the core electrons (0 for alkali atoms, 0.5 for alkaline earth atoms).

get_corrected_rydberg_constant(unit=None)[source]

Overloads:

Parameters:

unit (str | None)

Return type:

PlainQuantity[float] | float

Return the corrected Rydberg constant in the desired unit.

The corrected Rydberg constant is defined as

\[R_M = R_\infty \frac{m_{Core}}{m_{Core} + m_e}\]

where \(R_\infty\) is the Rydberg constant for infinite nuclear mass, \(m_{Core}\) is the mass of the core, and \(m_e\) is the mass of the electron.

Parameters:: unit (str | None) – Desired unit for the corrected Rydberg constant. Default None returns a Pint quantity.
Returns:: Corrected Rydberg constant in the desired unit.
Return type:: PlainQuantity[float] | float

property reduced_mass_au: float

The reduced mass mu in atomic units.

The reduced mass in atomic units \(\mu / m_e\) is given by

\[\frac{\mu}{m_e} = \frac{m_{Core}}{m_{Core} + m_e}\]

We calculate the reduced mass via the corrected Rydberg constant

\[\frac{\mu}{m_e} = \frac{R_M}{R_\infty}\]