CONTENTS GLOSSARY SUBJECT INDEX SEARCH DOCUMENTATION

Example of Collapsing Energy Levels

An example of collapsing levels is shown below. The example is for the relatively simple 1s(1) 3l(1) configuration of a He-like ion.

The table shows how a single base superconfiguration, composed of 1 K-shell electron and 1 M-shell electron, splits into configuration-averaged levels (in this case 3 levels), then into term split levels (6 levels), and finally fine structure split levels (10 levels).

Since the number of atomic transitions in a calculation is ~ (# levels)2, collapsing levels can result in significant reductions in computational requirements.

 

Base Superconfiguration Configuration-Averaged L-S Term Split Fine Structure Split
1K(1) 3M(1) 1s(1) 3s(1) 1s(1) 3s(1) 1S 1s(1) 3s(1) 1S 0
    1s(1) 3s(1) 3S 1s(1) 3s(1) 3S 1
  1s(1) 3p(1) 1s(1) 3p(1) 1P 1s(1) 3p(1) 1P 1
    1s(1) 3p(1) 3P 1s(1) 3p(1) 3P 0
      1s(1) 3p(1) 3P 1
      1s(1) 3p(1) 3P 2
  1s(1) 3d(1) 1s(1) 3d(1) 1D 1s(1) 3d(1) 1D 2
    1s(1) 3d(1) 3D 1s(1) 3d(1) 3D 1
      1s(1) 3d(1) 3D 2
      1s(1) 3d(1) 3D 3

 

 


Copyright © 2024 Prism Computational Sciences, Inc. SPECT3D 20.5.0