Atomic Photoionization Cross-Sections Beyond the Electric Dipole Approximation
The photoionization cross-sections beyond the electric dipole (BED) approximation have been calculated using Gaussian Type Orbitals (GTOs) and Plane Waves (PWs) for the initial and final states, respectively. BED cross-sections are given for the atoms and ions below as a function of photon energy up to 12 keV, alongside dipole cross-sections and the relative corrections introduced by BED.
Please note that the calculated cross-sections are only reliable far from the ionization threshold because the PW approximation for the final state is applicable at high kinetic energies of the photoelectron.
Please note that the calculated cross-sections have been averaged over possible directions of emission of the photoelectron, but have not been averaged over the possible directions of the incoming photon, i.e. the values have not been multiplied by a factor of 1/3.
If you have comments or suggestions please contact Iulia Brumboiu.
When using data from this webpage please cite the following article: J. Chem. Phys. 150, 044306 (2019) (arXiv:1810.08542).
| 1 H 1s |
2 He 1s |
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| 3 Li 1s 2s tot |
4 Be 1s 2s tot |
5 B 1s 2s 2p tot |
6 C 1s 2s 2p tot |
7 N 1s 2s 2p tot |
8 O 1s 2s 2p tot |
9 F 1s 2s 2p tot |
10 Ne 1s 2s 2p tot |
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| 11 Na 1s 2s 2p 3s tot |
12 Mg 1s 2s 2p 3s tot |
13 Al 1s 2s 2p 3s 3p tot |
14 Si 1s 2s 2p 3s 3p tot |
15 P 1s 2s 2p 3s 3p tot |
16 S 1s 2s 2p 3s 3p tot |
17 Cl 1s 2s 2p 3s 3p tot |
18 Ar 1s 2s 2p 3s 3p tot |
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| 19 K 1s 2s 2p 3s 3p 4s tot |
20 Ca 1s 2s 2p 3s 3p 4s tot |
21 Sc 1s 2s 2p 3s 3p 4s 3d tot |
22 Ti 1s 2s 2p 3s 3p 4s 3d tot |
23 V 1s 2s 2p 3s 3p 4s 3d tot |
24 Cr 1s 2s 2p 3s 3p 4s 3d tot |
25 Mn 1s 2s 2p 3s 3p 4s 3d tot |
26 Fe 1s 2s 2p 3s 3p 4s 3d tot |
27 Co 1s 2s 2p 3s 3p 4s 3d tot |
28 Ni 1s 2s 2p 3s 3p 4s 3d tot |
29 Cu 1s 2s 2p 3s 3p 4s 3d tot |
30 Zn 1s 2s 2p 3s 3p 4s 3d tot |
31 Ga 1s 2s 2p 3s 3p 4s 3d 4p tot |
32 Ge 1s 2s 2p 3s 3p 4s 3d 4p tot |
33 As 1s 2s 2p 3s 3p 4s 3d 4p tot |
34 Se 1s 2s 2p 3s 3p 4s 3d 4p tot |
35 Br 1s 2s 2p 3s 3p 4s 3d 4p tot |
36 Kr 1s 2s 2p 3s 3p 4s 3d 4p tot |
| 1 H |
2 He |
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| 3 Li1+ 1s |
4 Be2+ 1s |
5 B3+ 1s |
6 C |
7 N |
8 O2- 1s 2s 2p tot |
9 F1- 1s 2s 2p tot |
10 Ne |
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| 11 Na1+ 1s 2s 2p tot |
12 Mg2+ 1s 2s 2p tot |
13 Al3+ 1s 2s 2p tot |
14 Si |
15 P |
16 S2- 1s 2s 2p 3s 3p tot |
17 Cl1- 1s 2s 2p 3s 3p tot |
18 Ar |
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| 19 K1+ 1s 2s 2p 3s 3p tot |
20 Ca2+ 1s 2s 2p 3s 3p tot |
21 Sc3+ 1s 2s 2p 3s 3p tot |
22 Ti4+ 1s 2s 2p 3s 3p tot |
23 V5+ 1s 2s 2p 3s 3p tot |
24 Cr6+ 1s 2s 2p 3s 3p tot |
25 Mn2+ 1s 2s 2p 3s 3p 3d tot |
26 Fe2+ 1s 2s 2p 3s 3p 3d tot |
27 Co2+ 1s 2s 2p 3s 3p 3d tot |
28 Ni2+ 1s 2s 2p 3s 3p 3d tot |
29 Cu2+ 1s 2s 2p 3s 3p 3d tot |
30 Zn2+ 1s 2s 2p 3s 3p 3d tot |
31 Ga3+ 1s 2s 2p 3s 3p 3d tot |
32 Ge |
33 As |
34 Se2- 1s 2s 2p 3s 3p 4s 3d 4p tot |
35 Br1- 1s 2s 2p 3s 3p 4s 3d 4p tot |
36 Kr |