improve NXelectron_level

nexusformat · Feb 11, 2024 · c6dc90c · c6dc90c
1 parent 17850c6
commit c6dc90c
Showing 1 changed file with 19 additions and 9 deletions.
diff --git a/base_classes/NXelectron_level.nxdl.xml b/base_classes/NXelectron_level.nxdl.xml
@@ -30,32 +30,42 @@
  xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
  xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd"
  >
- <doc>TODO ??? levels of electrons in atoms.</doc>
+ <doc>Electron energy levels in atoms for spectroscopy.</doc>
  <field name="name" type="NX_CHAR" optional="false">
  <doc>
- TODO Name of the atomic orbital in IUPAC or X-ray notation.
+ Electron energy level for spectroscopy in IUPAC notation.
 
- The corresponding atomic notation *nlj* is also given, where *n* the principal quantum number,
- *l* the orbital angular momentum quantum number (expressed with letters s, p, d, ...) and *j = l + s*
- (*s=±½* the spin quantum number).
+ The corresponding *nlj* notation is also given, where *n* the principal quantum number (shell),
+ *l* the azimuthal quantum number (subshell, expressed with letters *s=0*, *p=1*, *d=2*, ...)
+ and *j = l + s* (*s=±½* the spin quantum number).
  </doc>
  <enumeration>
- <item value="K1"> <doc>1s1/2</doc> </item>
- <item value="L1"> <doc>2s1/2</doc> </item>
+ <item value="K"> <doc>1s</doc> </item>
+ <item value="L1"> <doc>2s</doc> </item>
  <item value="L2"> <doc>2p1/2</doc> </item>
  <item value="L3"> <doc>2p3/2</doc> </item>
- <item value="M1"> <doc>3s1/2</doc> </item>
+ <item value="M1"> <doc>3s</doc> </item>
  <item value="M2"> <doc>3p1/2</doc> </item>
  <item value="M3"> <doc>3p3/2</doc> </item>
  <item value="M4"> <doc>3d3/2</doc> </item>
  <item value="M5"> <doc>3d5/2</doc> </item>
- <item value="N1"> <doc>4s1/2</doc> </item>
+ <item value="N1"> <doc>4s</doc> </item>
  <item value="N2"> <doc>4p1/2</doc> </item>
  <item value="N3"> <doc>4p3/2</doc> </item>
  <item value="N4"> <doc>4d3/2</doc> </item>
  <item value="N5"> <doc>4d5/2</doc> </item>
  <item value="N6"> <doc>4f5/2</doc> </item>
  <item value="N7"> <doc>4f7/2</doc> </item>
+ <item value="O1"> <doc>5s</doc> </item>
+ <item value="O2"> <doc>5p1/2</doc> </item>
+ <item value="O3"> <doc>5p3/2</doc> </item>
+ <item value="O4"> <doc>5d3/2</doc> </item>
+ <item value="O5"> <doc>5d5/2</doc> </item>
+ <item value="O6"> <doc>5f5/2</doc> </item>
+ <item value="O7"> <doc>5f7/2</doc> </item>
+ <item value="P1"> <doc>6s</doc> </item>
+ <item value="P2"> <doc>6p1/2</doc> </item>
+ <item value="P3"> <doc>6p3/2</doc> </item>
  </enumeration>
  </field>
 </definition>