From c6dc90cdbf0b81b782e1a380038f42c2ad66b1f4 Mon Sep 17 00:00:00 2001 From: woutdenolf Date: Sun, 11 Feb 2024 17:03:06 +0100 Subject: [PATCH] improve NXelectron_level --- base_classes/NXelectron_level.nxdl.xml | 28 +++++++++++++++++--------- 1 file changed, 19 insertions(+), 9 deletions(-) diff --git a/base_classes/NXelectron_level.nxdl.xml b/base_classes/NXelectron_level.nxdl.xml index 97ed107ee6..7025489043 100644 --- 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" > - TODO ??? levels of electrons in atoms. + Electron energy levels in atoms for spectroscopy. - 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). - 1s1/2 - 2s1/2 + 1s + 2s 2p1/2 2p3/2 - 3s1/2 + 3s 3p1/2 3p3/2 3d3/2 3d5/2 - 4s1/2 + 4s 4p1/2 4p3/2 4d3/2 4d5/2 4f5/2 4f7/2 + 5s + 5p1/2 + 5p3/2 + 5d3/2 + 5d5/2 + 5f5/2 + 5f7/2 + 6s + 6p1/2 + 6p3/2