from pathlib import Path
from typing import ClassVar
from ryd_numerov.elements.base_element import BaseElement
[docs]
class Lithium(BaseElement):
species = "Li"
Z = 3
s = 1 / 2
ground_state_shell = (2, 0)
_core_electron_configuration = "1s2"
_nist_energy_levels_file = Path(__file__).parent / "nist_energy_levels" / "lithium.txt"
# https://webbook.nist.gov/cgi/inchi?ID=C7439932&Mask=20
_ionization_energy = (5.391_72, None, "eV")
potential_type_default = "model_potential_marinescu_1993"
# -- [1] Phys. Rev. A 34, 2889 (1986) (Li 7)
# -- [2] T. F. Gallagher, ``Rydberg Atoms'', Cambridge University Press (2005), ISBN: 978-0-52-102166-1
# -- [3] Johansson I 1958 Ark. Fysik 15 169
_quantum_defects: ClassVar = {
(0, 0.5): (0.3995101, 0.029, 0, 0, 0), # [1]
(1, 0.5): (0.0471780, -0.024, 0, 0, 0), # [1]
(1, 1.5): (0.0471665, -0.024, 0, 0, 0), # [1]
(2, 1.5): (0.002129, -0.01491, 0.1759, -0.8507, 0), # [2,3]
(2, 2.5): (0.002129, -0.01491, 0.1759, -0.8507, 0), # [2,3]
(3, 2.5): (0.000305, -0.00126, 0, 0, 0), # [2,3]
(3, 3.5): (0.000305, -0.00126, 0, 0, 0), # [2,3]
}
_corrected_rydberg_constant = (109728.64, None, "1/cm")
# Phys. Rev. A 49, 982 (1994)
alpha_c_marinescu_1993 = 0.1923
r_c_dict_marinescu_1993: ClassVar = {0: 0.61340824, 1: 0.61566441, 2: 2.34126273}
model_potential_parameter_marinescu_1993: ClassVar = {
0: (2.47718079, 1.84150932, -0.02169712, -0.11988362),
1: (3.45414648, 2.55151080, -0.21646561, -0.06990078),
2: (2.51909839, 2.43712450, 0.32505524, 0.10602430),
}
# https://iopscience.iop.org/article/10.1088/1674-1056/18/10/025
model_potential_parameter_fei_2009 = (1.0255, 1.7402, 1.0543, 0.7165)