https://github.com/jagot/atomicdata.jl

https://github.com/jagot/atomicdata.jl

Last synced: 6 days ago
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• Host: GitHub
• URL: https://github.com/jagot/atomicdata.jl
• Owner: jagot
• License: other
• Created: 2018-10-19T16:14:18.000Z (over 6 years ago)
• Default Branch: master
• Last Pushed: 2023-04-14T12:28:46.000Z (almost 2 years ago)
• Last Synced: 2024-11-15T18:35:04.337Z (2 months ago)
• Language: Julia
• Size: 25.4 KB
• Stars: 0
• Watchers: 2
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.org
  • License: LICENSE.md

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README

        
#+TITLE: AtomicData.jl

#+AUTHOR: Stefanos Carlström

#+EMAIL: [email protected]

#+PROPERTY: header-args:julia :session *julia-README*

[[https://github.com/jagot/AtomicData.jl/actions][https://github.com/jagot/AtomicData.jl/workflows/CI/badge.svg]]

[[https://codecov.io/gh/jagot/AtomicData.jl][https://codecov.io/gh/jagot/AtomicData.jl/branch/master/graph/badge.svg]]

* Introduction

  A small helper library to download atomic data from the [[https://physics.nist.gov/PhysRefData/ASD/levels_form.html][NIST Atomic Spectra Database]].

* Usage

  This loads the library and requests atomic data for singly ionized

  helium, energies in electronvolt:

  #+BEGIN_SRC julia :exports both :results verbatim

    using AtomicData

    using Unitful

    using DataFrames

    first(get_nist_data("He II", u"eV"), 6)

  #+END_SRC

  #+RESULTS:

  #+begin_example

  6×7 DataFrame

  │ Row │ Configuration │ Term    │ J         │ Level      │ Uncertainty │ Leading percentages │ Reference │

  │     │ String⍰       │ String⍰ │ Rationa…⍰ │ Union…⍰    │ Union…⍰     │ Int64⍰              │ String⍰   │

  ├─────┼───────────────┼─────────┼───────────┼────────────┼─────────────┼─────────────────────┼───────────┤

  │ 1   │ 1s            │ 2S      │ 1//2      │ 0.0 eV     │ 2.5e-8 eV   │ 100                 │ missing   │

  │ 2   │ 2p            │ 2P*     │ 1//2      │ 40.813 eV  │ 3.0e-7 eV   │ 100                 │ L3620c107 │

  │ 3   │ 2p            │ 2P*     │ 3//2      │ 40.8138 eV │ 3.0e-7 eV   │ 100                 │ L3620c107 │

  │ 4   │ 2s            │ 2S      │ 1//2      │ 40.8131 eV │ 3.0e-7 eV   │ 100                 │ L3620c107 │

  │ 5   │ 3p            │ 2P*     │ 1//2      │ 48.3713 eV │ 3.0e-7 eV   │ 100                 │ L3620c107 │

  │ 6   │ 3p            │ 2P*     │ 3//2      │ 48.3715 eV │ 3.0e-7 eV   │ 100                 │ L3620c107 │

  #+end_example

  Same as above, but for singly ionized xenon instead, in units of Rydbergs:

  #+BEGIN_SRC julia :exports both :results verbatim

    first(get_nist_data("Xe II", u"Ry"), 6)

  #+END_SRC

  #+RESULTS:

  #+begin_example

  6×7 DataFrame

  │ Row │ Configuration  │ Term    │ J         │ Level        │ Uncertainty │ Lande    │ Reference │

  │     │ String⍰        │ String⍰ │ Rationa…⍰ │ Union…⍰      │ Union…⍰     │ Float64⍰ │ String⍰   │

  ├─────┼────────────────┼─────────┼───────────┼──────────────┼─────────────┼──────────┼───────────┤

  │ 1   │ 5p5            │ 2P*     │ 3//2      │ 0.0 Ry       │ missing     │ missing  │ L6925     │

  │ 2   │ 5p5            │ 2P*     │ 1//2      │ 0.0960203 Ry │ missing     │ missing  │ L6925     │

  │ 3   │ 5s.5p6         │ 2S      │ 1//2      │ 0.828103 Ry  │ missing     │ 2.02     │ L6925     │

  │ 4   │ 5p4.(3P<2>).6s │ 2[2]    │ 5//2      │ 0.848102 Ry  │ missing     │ 1.56     │ L6925     │

  │ 5   │ 5p4.(3P<2>).6s │ 2[2]    │ 3//2      │ 0.86629 Ry   │ missing     │ 1.38     │ L6925     │

  │ 6   │ 5p4.(3P<2>).5d │ 2[2]    │ 5//2      │ 0.869319 Ry  │ missing     │ 1.36     │ L6925     │

  #+end_example