Source code for ryd_numerov.elements.potassium

from pathlib import Path
from typing import ClassVar

from ryd_numerov.elements.base_element import BaseElement


[docs] class Potassium(BaseElement): species = "K" Z = 19 s = 1 / 2 ground_state_shell = (4, 0) _additional_allowed_shells: ClassVar = [(3, 2)] _core_electron_configuration = "3p6" _nist_energy_levels_file = Path(__file__).parent / "nist_energy_levels" / "potassium.txt" # https://webbook.nist.gov/cgi/inchi?ID=C7440097&Mask=20 _ionization_energy = (4.340_66, 0.000_01, "eV") potential_type_default = "model_potential_marinescu_1993" # -- [1] Phys. Scr. 27, 300 (1983) # -- [2] Opt. Commun. 39, 370 (1981) # -- [3] Ark. Fys., 10 p.583 (1956) _quantum_defects: ClassVar = { (0, 0.5): (2.180197, 0.136, 0.0759, 0.117, -0.206), # [1,2] (1, 0.5): (1.713892, 0.2332, 0.16137, 0.5345, -0.234), # [1] (1, 1.5): (1.710848, 0.2354, 0.11551, 1.105, -2.0356), # [1] (2, 1.5): (0.27697, -1.0249, -0.709174, 11.839, -26.689), # [1,2] (2, 2.5): (0.277158, -1.0256, -0.59201, 10.0053, -19.0244), # [1,2] (3, 2.5): (0.010098, -0.100224, 1.56334, -12.6851, 0), # [1,3] (3, 3.5): (0.010098, -0.100224, 1.56334, -12.6851, 0), # [1,3] } _corrected_rydberg_constant = (109735.774, None, "1/cm") # Phys. Rev. A 49, 982 (1994) alpha_c_marinescu_1993 = 5.3310 r_c_dict_marinescu_1993: ClassVar = {0: 0.83167545, 1: 0.85235381, 2: 0.83216907, 3: 6.50294371} model_potential_parameter_marinescu_1993: ClassVar = { 0: (3.56079437, 1.83909642, -1.74701102, -1.03237313), 1: (3.65670429, 1.67520788, -2.07416615, -0.89030421), 2: (4.12713694, 1.79837462, -1.69935174, -0.98913582), 3: (1.42310446, 1.27861156, 4.77441476, -0.94829262), } # https://iopscience.iop.org/article/10.1088/1674-1056/18/10/025 model_potential_parameter_fei_2009 = (0.9172, 4.1728, 0.6845, 0.2280)