# -*- coding: utf-8 -*-
# ruff: noqa: E741
"""
Data sources
-------------
.. [#c1] J. A. Armstrong, J. J. Wynne and P. Esherick,
"Bound, odd-parity J = 1 spectra of the alkaline earths: Ca, Sr,
and Ba",
*J. Opt. Soc. Am.* **69**, 211-230 (1979)
https://doi.org/10.1364/JOSA.69.000211
.. [#c2] R.Beigang, K.Lücke, A.Timmermann, P.J.West and D.Frölich,
Determination of absolute level energies of 5sns1S0 and 5snd1D2
Rydberg series of Sr,
*Opt. Commun.* **42**, 19 (1982).
https://doi.org/10.1016/0030-4018(82)90082-7
.. [#c3] J. E. Sansonetti and G Nave,
Wavelengths, Transition Probabilities, and Energy Levels for the
Spectrum of Neutral Strontium (Sr I),
Journal of Physical and Chemical Reference Data **39**, 033103 (2010).
https://doi.org/10.1063/1.3449176
.. [#c4] Baig M, Yaseen M, Nadeem A, Ali R. and Bhatti S.
Three-photon excitation of strontium Rydberg levels,
*Optics Communications* **156**, 279 (1998)
https://doi.org/10.1016/S0030-4018(98)00467-2
.. [#c5] P. Esherick, J. J. Wynne and J A Armstrong,
Spectroscopy of 3P0 states of alkaline earths,
*Optics Letters* **1**, 19 (1977).
https://doi.org/10.1364/OL.1.000019
.. [#c6] P Esherick,
Bound, even-parity J = 0 and J = 2 spectra of Sr,
*Physical Review A* **15**, 1920 (1977).
https://doi.org/10.1103/PhysRevA.15.1920
.. [#c7] R. Beigang and D. Schmidt,
Two-Channel MQDT Analysis of Bound 5snd 3D1,3 Rydberg States of
Strontium,
*Physica Scripta* **27**, 172 (1983).
https://doi.org/10.1088/0031-8949/27/3/005
.. [#c8] J R. Rubbmark and S. A. Borgstr¨om,
Rydberg Series in Strontium Found in Absorption by Selectively,
Laser-Excited Atoms.
*Physica Scripta* **18**, 196 (1978)
https://doi.org/10.1088/0031-8949/18/4/002
.. [#c9] Beigang R, Lucke K, Schmidt D, Timmermann A. and West P. J,
One-Photon Laser Spectroscopy of Rydberg Series from Metastable Levels
in Calcium and Strontium,
*Phys. Scr.* **26**, 183 (1982)
https://doi.org/10.1088/0031-8949/26/3/007
.. [#c10] L. Couturier, I. Nosske, F. Hu, C. Tan, C. Qiao, Y. H. Jiang, P. Chen
and M. Weidemüller.
Measurement of the strontium triplet Rydberg series by depletion
spectroscopy of ultracold atoms
*Phys. Rev. A* **99**, 022503 (2019)
https://doi.org/10.1103/PhysRevA.99.022503
.. [#yb1] H. Maeda, Y. Matsuo, M. Takami and A. Suzuki,
Optical-microwave double-resonance spectroscopy of highly excited
Rydberg states of ytterbium,
*Physical Review A* **45**, 1732 (1992)
https://doi.org/10.1103/PhysRevA.45.1732
.. [#yb2] M. Aymar, A. Debarre and O. Robaux,
Highly excited levels of neutral ytterbium. II. Multichannel quantum
defect analysis of odd- and even-parity spectra,
*Journal of Physics B: Atomic and Molecular Physics* **13**,
1089 (1980)
https://doi.org/10.1088/0022-3700/13/6/016
.. [#yb3] H. Lehec, A. Zuliani, W. Maineult, E. Luc-Koenig, P. Pillet,
P. Cheinet, F. Niyaz and T. F. Gallagher,
Laser and microwave spectroscopy of even-parity Rydberg states of
neutral ytterbium and multichannel-quantum-defect-theory analysis,
*Physical Review A* **98**, 062506 (2018)
https://doi.org/10.1103/PhysRevA.98.062506
.. [#MT78] W. F. Meggers and J. L. Tech, *J. Res. Natl. Bur. Stand.* (U.S.)
**83**, 13 (1978).
https://doi.org/10.6028/jres.083.003
.. [#ca1] Thomas R. Gentile, Barbara J. Hughey, Daniel Kleppner
and Theodore W. Ducas,
Microwave spectroscopy of calcium Rydberg states,
*Physical Review A* **42**, 440 (1990)
https://doi.org/10.1103/PhysRevA.42.440
.. [#ca2] Masabumi Miyabe, Christopher Geppert, Masaaki Kato, Masaki Oba,
Ikuo Wakaida, Kazuo Watanabe and Klaus D. A. Wendt,
Determination of Ionization Potential of Calcium by High-Resolution
Resonance Ionization Spectroscopy,
*Journal of the Physical Society of Japan* **75**, 034302 (2006)
https://doi.org/10.1143/JPSJ.75.034302
.. [#ca3] Meija, Juris et al,
"Atomic weights of the elements 2013 (IUPAC Technical Report)",
*Pure and Applied Chemistry* **88**,265 (2016)
https://doi.org/10.1515/pac-2015-0305.
.. [#ca4] B.B. Zelener, S. A. Saakyan,V. A. Sautenkov, E. V. Vilshanskaya,
B. V. Zelener and V. E. Fortov, *JETP Letters* **110**, 761 (2019)
https://doi.org/10.1134/S0021364019240093
.. [#ca5] J. Sugar and C. Corliss, *J. Phys. Chem. Ref. Data* **14**,
Suppl. 2 (1985)
.. [#pr] C.B.Alcock, V.P.Itkin, M.K.Horrigan,\
*Canadian Metallurgical Quarterly*, **23**, 309 (1984)
http://dx.doi.org/10.1179/cmq.1984.23.3.309
.. [#nist] NIST Standard reference database, https://dx.doi.org/10.18434/T4FW23
"""
from math import log
from scipy.constants import physical_constants
from scipy.constants import h as C_h
from scipy.constants import e as C_e
from arc.divalent_atom_functions import DivalentAtom
__all_ = ["Strontium88", "Calcium40", "Ytterbium174"]
[docs]
class Strontium88(DivalentAtom):
"""
Properties of Strontium 88 atoms
"""
alphaC = 15
ionisationEnergy = 1377012721e6 * C_h / C_e #: (eV) Ref. [#c10]_
Z = 38
I = 0.0
#: Ref. [#c10]_
scaledRydbergConstant = (
109736.631
* 1.0e2
* physical_constants["inverse meter-electron volt relationship"][0]
)
quantumDefect = [
[
[3.269123, -0.177769, 3.4619, 0.0, 0.0, 0.0],
[2.72415, -3.390, -220.0, 0.0, 0.0, 0.0],
[2.384667, -42.03053, -619.0, 0.0, 0.0, 0.0],
[0.090886, -2.4425, 61.896, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
[
[3.3707725, 0.41979, -0.421377, 0.0, 0.0, 0.0],
[2.88673, 0.433745, -1.800, 0.0, 0.0, 0.0],
[2.675236, -13.23217, -4418.0, 0.0, 0.0, 0.0],
[0.120588, -2.1847, 102.98, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
[
[3.3707725, 0.41979, -0.421377, 0.0, 0.0, 0.0],
[2.88265, 0.39398, -1.1199, 0.0, 0.0, 0.0],
[2.661488, -16.8524, -6629.26, 0.0, 0.0, 0.0],
[0.11899, -2.0446, 103.26, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
[
[3.3707725, 0.41979, -0.421377, 0.0, 0.0, 0.0],
[2.88163, -2.462, 145.18, 0.0, 0.0, 0.0],
[2.655, -65.317, -13576.7, 0.0, 0.0, 0.0],
[0.12000, -2.37716, 118.97, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
]
""" Contains list of modified Rydberg-Ritz coefficients for calculating
quantum defects for
[[ :math:`^1S_{0},^1P_{1},^1D_{2},^1F_{3}`],
[ :math:`^3S_{1},^3P_{0},^3D_{1},^3F_{2}`],
[ :math:`^3S_{1},^3P_{1},^3D_{2},^3F_{3}`],
[ :math:`^3S_{1},^3P_{2},^3D_{3},^3F_{4}`]]."""
groundStateN = 5
# levels that are for smaller n than ground level, but are above in energy
# due to angular part
extraLevels = [
(4, 2, 3, 1),
(4, 2, 1, 1),
(4, 3, 3, 0),
(4, 3, 4, 1),
(4, 3, 3, 1),
(4, 3, 2, 1),
(4, 2, 2, 0),
]
#: Sources Refs. [#c1]_, [#c2]_, [#c3]_, [#c4]_, [#c5]_, [#c6]_, [#c7]_,
#: [#c8]_ , [#c10]_
levelDataFromNIST = "sr_level_data.csv"
precalculatedDB = "sr88_precalculated.db"
dipoleMatrixElementFile = "sr_dipole_matrix_elements.npy"
quadrupoleMatrixElementFile = "sr_quadrupole_matrix_elements.npy"
literatureDMEfilename = "strontium_literature_dme.csv"
elementName = "Sr88"
meltingPoint = 777 + 273.15 #: in K
#: Ref. [#nist]_
mass = 87.905619 * physical_constants["atomic mass constant"][0]
#: Quantum defect principal quantum number fitting ranges for different
#: series
defectFittingRange = {
"1S0": [14, 34],
"3S1": [15, 50],
"1P1": [10, 29],
"3P2": [19, 41],
"3P1": [8, 21],
"3P0": [8, 15],
"1D2": [20, 50],
"3D3": [20, 37],
"3D2": [28, 50],
"3D1": [28, 50],
"1F3": [10, 28],
"3F4": [10, 28],
"3F3": [10, 24],
"3F2": [10, 24],
}
[docs]
def getPressure(self, temperature):
"""
Pressure of atomic vapour at given temperature.
Calculates pressure based on Ref. [#pr]_ (accuracy +- 5%).
"""
if temperature < 298:
print("WARNING: Sr vapour pressure below 298 K is unknown (small)")
return 0
if temperature < self.meltingPoint:
return 10 ** (
5.006
+ 9.226
- 8572 / temperature
- 1.1926 * log(temperature) / log(10.0)
)
else:
raise ValueError(
"ERROR: Sr vapour pressure above %.0f C is unknown"
% self.meltingPoint
)
[docs]
class Calcium40(DivalentAtom):
"""
Properties of Calcium 40 atoms
"""
#: eV Ref. [#ca4]_
ionisationEnergy = (
49305.91966
* 1e2
* physical_constants["inverse meter-electron volt relationship"][0]
)
Z = 20
I = 0
#: eV Ref. [#ca2]_
scaledRydbergConstant = (
109735.81037
* 1e2
* physical_constants["inverse meter-electron volt relationship"][0]
)
quantumDefect = [
[
[2.33793, -0.1142, 0.0, 0.0, 0.0, 0.0],
[1.885584, -0.3240, -23.8, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.09864, -1.29, 36, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
[
[2.440956, 0.35, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.8833, -0.02, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
[
[2.440956, 0.35, 0.0, 0.0, 0.0, 0.0],
[1.964709, 0.228, 0.0, 0.0, 0.0, 0.0],
[0.8859, 0.13, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
[
[2.440956, 0.35, 0.0, 0.0, 0.0, 0.0],
[1.9549, 2.5, -1.60e2, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
]
""" Contains list of modified Rydberg-Ritz coefficients for calculating
quantum defects for
[[ :math:`^1S_{0},^1P_{1},^1D_{2},^1F_{3}`],
[ :math:`^3S_{1},^3P_{0},^3D_{1},^3F_{2}`],
[ :math:`^3S_{1},^3P_{1},^3D_{2},^3F_{3}`],
[ :math:`^3S_{1},^3P_{2},^3D_{3},^3F_{4}`]]."""
groundStateN = 4
# extraLevels = [] #: TODO unkown if such exist at time of writing
#: Sources Refs. [#c1]_, [#c5]_, [#c9]_, [#ca1]_, [#ca5]_
levelDataFromNIST = "ca_level_data.csv"
precalculatedDB = "ca40_precalculated.db"
dipoleMatrixElementFile = "ca_dipole_matrix_elements.npy"
quadrupoleMatrixElementFile = "ca_quadrupole_matrix_elements.npy"
literatureDMEfilename = "calcium_literature_dme.csv"
elementName = "Ca40"
meltingPoint = 842 + 273.15 #: in K
#: Ref. [#nist]_
mass = 39.962591 * physical_constants["atomic mass constant"][0]
#: Quantum defect principal quantum number fitting ranges for different
#: series
defectFittingRange = {
"1S0": [22, 55],
"3S1": [22, 55],
"1P1": [22, 55],
"3P2": [8, 18],
"3P1": [22, 55],
"3D2": [22, 55],
"3D1": [22, 55],
"1F3": [20, 150],
}
[docs]
def getPressure(self, temperature):
"""
Pressure of atomic vapour at given temperature.
Calculates pressure based on Ref. [#pr]_ (accuracy +- 5%).
"""
if temperature < 298:
print("WARNING: Ca vapour pressure below 298 K is unknown (small)")
return 0
if temperature < self.meltingPoint:
return 10 ** (
5.006
+ 10.127
- 9517 / temperature
- 1.4030 * log(temperature) / log(10.0)
)
else:
raise ValueError(
"ERROR: Ca vapour pressure above %.0f C is unknown"
% self.meltingPoint
)
[docs]
class Ytterbium174(DivalentAtom):
"""
Properties of Ytterbium 174 atoms
"""
ionisationEnergy = (
50443.07041
* 1e2
* physical_constants["inverse meter-electron volt relationship"][0]
)
#: eV Ref. [#yb3]_
Z = 70
I = 0
#: eV Ref. [#yb3]_
scaledRydbergConstant = (
109736.96959
* 1e2
* physical_constants["inverse meter-electron volt relationship"][0]
)
quantumDefect = [
[
[4.278367, -5.60943, -258.5, 0.0, 0.0, 0.0],
[3.953434, -10.58286, 728.100, 0.0, 0.0, 0.0],
[2.7130117, -0.929878, -636.4, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
[
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
[
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[2.7485996, 0.0137, -106.55, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
[
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
[0.0, 0.0, 0.0, 0.0, 0.0, 0.0],
],
]
""" Contains list of modified Rydberg-Ritz coefficients for calculating
quantum defects for
[[ :math:`^1S_{0},^1P_{1},^1D_{2},^1F_{3}`],
[ :math:`^3S_{1},^3P_{0},^3D_{1},^3F_{2}`],
[ :math:`^3S_{1},^3P_{1},^3D_{2},^3F_{3}`],
[ :math:`^3S_{1},^3P_{2},^3D_{3},^3F_{4}`]]."""
groundStateN = 6
# Levels = [] #: TODO unkown if such exist at time of writing
#: Sources Refs. [#yb1]_, [#yb2]_, [#yb3]_, [#MT78]_
levelDataFromNIST = "yb_level_data.csv"
precalculatedDB = "yb174_precalculated.db"
dipoleMatrixElementFile = "yb_dipole_matrix_elements.npy"
quadrupoleMatrixElementFile = "yb_quadrupole_matrix_elements.npy"
literatureDMEfilename = "ytterbium_literature_dme.csv"
elementName = "Yb174"
meltingPoint = 819 + 273.15 #: in K
#: Ref. [#nist]_
mass = 173.9388664 * physical_constants["atomic mass constant"][0]
#: Quantum defect principal quantum number fitting ranges for different
#: series
defectFittingRange = {
"1S0": [34, 80],
"1P1": [35, 54],
"1D2": [40, 80],
"3D2": [35, 80],
}
[docs]
def getPressure(self, temperature):
"""
Pressure of atomic vapour at given temperature.
Calculates pressure based on Ref. [#pr]_ (accuracy +- 5%).
"""
if temperature < 298:
print("WARNING: Yb vapour pressure below 298 K is unknown (small)")
return 0
if temperature < 900:
return 10 ** (
5.006
+ 9.111
- 8111 / temperature
- 1.0849 * log(temperature) / log(10.0)
)
else:
raise ValueError("ERROR: Yb vapour pressure above 900 K is unknown")
