ElementPropertiesPotassium
Class Methods
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Return the corrected Rydberg constant in the desired unit. |
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Check if the quantum numbers describe an allowed shell. |
Class Attributes and Properties
Atomic number of the species. |
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Additional allowed shells (n, l), which (n, l) is smaller than the ground state shell. |
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Static dipole polarizability (a.u.) of the core including the closed-shell electrons. |
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Relative atomic mass of the neutral atom in unified atomic mass units (u). |
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Electron configuration of the core electrons, e.g. 4p6 for Rb or 5s for Sr. |
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Shell (n, l) describing the electronic ground state configuration. |
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Nuclear spin. |
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The mass of the ionic core in unified atomic mass units (u). |
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Mass number A (i.e. number of nucleons) of the isotope. |
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Net charge of the ionic core seen by the Rydberg electron (1 for neutral atoms, 2 for singly-charged ions). |
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Nuclear dipole moment of the species. |
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Number of valence electrons (i.e. 1 for alkali atoms and 2 for alkaline earth atoms). |
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Cutoff radius (a.u.) of the core-polarization corrected electric-dipole operator (see alpha_closed_shell_core). |
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The reduced mass mu in atomic units. |
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Total spin of the core electrons (0 for alkali atoms, 0.5 for alkaline earth atoms). |
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Total spin of the rydberg electron (always 0.5). |
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The short name of the atomic species. |
- class rydstate.species.potassium.ElementPropertiesPotassium(*args: object, **kwargs: object)[source]
- Parameters:
args (object)
kwargs (object)
- Return type:
CachedT
- species: ClassVar[str] = 'K'
The short name of the atomic species.
- Z: ClassVar[int] = 19
Atomic number of the species.
- i_c: ClassVar[float] = 0
Nuclear spin.
- number_valence_electrons: ClassVar[int] = 1
Number of valence electrons (i.e. 1 for alkali atoms and 2 for alkaline earth atoms).
- ground_state_shell: ClassVar[tuple[int, int]] = (4, 0)
Shell (n, l) describing the electronic ground state configuration.
- additional_allowed_shells: ClassVar = [(3, 2)]
Additional allowed shells (n, l), which (n, l) is smaller than the ground state shell.
- core_electron_configuration: ClassVar[str] = '3p6'
Electron configuration of the core electrons, e.g. 4p6 for Rb or 5s for Sr.
- mass_number: ClassVar[int] = 39
Mass number A (i.e. number of nucleons) of the isotope.
- atomic_mass_u: ClassVar[float] = 38.96370648482
Relative atomic mass of the neutral atom in unified atomic mass units (u).
I.e. the mass including all Z electrons and their binding energies.
If not said otherwise, the values are taken from Table I (the atomic mass table) of the AME2020 atomic mass evaluation (M. Wang et al., Chin. Phys. C 45, 030003 (2021), https://doi.org/10.1088/1674-1137/abddaf). Concretely, we use the unrounded version of that table, which is published as the text file https://www-nds.iaea.org/amdc/ame2020/mass_1.mas20.txt, where the last column holds the atomic mass.
- alpha_closed_shell_core: ClassVar[float] = 5.331
Static dipole polarizability (a.u.) of the core including the closed-shell electrons. It is used for the electric-dipole moment correction due to the core, see e.g. Weisheit Phys. Rev. A 5, 1621, 1972 (https://link.aps.org/doi/10.1103/PhysRevA.5.1621). The core-polarization corrected electric-dipole operator is d(r) = r - alpha_core/r^2 * (1 - exp(-(r/r_c)^3)). This is also used for model potentials including the core-polarization term, see e.g.
PotentialMarinescu1994.
- r_c_dipole_operator: ClassVar[float | None] = 2.3
Cutoff radius (a.u.) of the core-polarization corrected electric-dipole operator (see alpha_closed_shell_core). The default None means no correction is applied (i.e. the bare electric-dipole operator d(r) = r is used). If not said otherwise, r_c is fitted to the NIST ASD line strengths of the principal series (ground state -> np_j).
- get_corrected_rydberg_constant(unit=None)
Return the corrected Rydberg constant in the desired unit.
- Overloads:
self, unit (None) → PintFloat
self, unit (str) → float
- Parameters:
unit (str | None)
- Return type:
PlainQuantity[float] | float
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
- is_allowed_shell(n, l, s_tot)
Check if the quantum numbers describe an allowed shell.
I.e. whether the shell is above the ground state shell.
- Parameters:
n (
int) – Principal quantum numberl (
int|Unknown) – Orbital angular momentum quantum number. If it is unknown (as it is the case for the perturber channels of the MQDT models), the shell configuration is only restricted to n being equal to or above the ground state shell.s_tot (
float|Unknown) – Total spin quantum number
- Return type:
bool- Returns:
True if the quantum numbers specify a shell equal to or above the ground state shell, False otherwise.
- property mass_core_u: float
The mass of the ionic core in unified atomic mass units (u).
The core is the neutral atom stripped of the Rydberg electron and of all further electrons that are missing for an ion, i.e. of
net_chargeelectrons in total. (The binding energies of these electrons are neglected, they only contribute on the order of 1e-8 u.)
- net_charge: ClassVar[int] = 1
Net charge of the ionic core seen by the Rydberg electron (1 for neutral atoms, 2 for singly-charged ions).
- nuclear_dipole: ClassVar[float] = 0.0
Nuclear dipole moment of the species.
- property reduced_mass_au: float
The reduced mass mu in atomic units.
The reduced mass in atomic units \(\mu / m_e\) is given by
\[\frac{\mu}{m_e} = \frac{m_{Core}}{m_{Core} + m_e} = \frac{1}{1 + m_e / m_{Core}}\]where \(m_{Core}\) is given by
mass_core_u.
- property s_c: float
Total spin of the core electrons (0 for alkali atoms, 0.5 for alkaline earth atoms).
- property s_r: float
Total spin of the rydberg electron (always 0.5).