[kalzium] [Bug 462766] New: [Feature request] Include spin configuration and magnetic moment information

bugzilla_noreply at kde.org bugzilla_noreply at kde.org
Thu Dec 8 03:35:53 GMT 2022


https://bugs.kde.org/show_bug.cgi?id=462766

            Bug ID: 462766
           Summary: [Feature request] Include spin configuration and
                    magnetic moment information
    Classification: Applications
           Product: kalzium
           Version: unspecified
          Platform: Other
                OS: Linux
            Status: REPORTED
          Severity: wishlist
          Priority: NOR
         Component: general
          Assignee: kalzium at kde.org
          Reporter: bonirar716 at u461.com
  Target Milestone: ---

Dear Kalzium deverlopers,

I'm a chemistry student and Kalzium is a very handy tool for my learning. 

I think it would be nice if Kalzium can include the spin configurations for
each element (for free atom case, we can also include oxidation states later).
Since we already have the electron configuration on the "atom model" tab, it is
straightforward to calculate the spin and orbital magnetic moments based on
this. We can also make suggestions on the total magnetic moment (for free atom)
using Hund's rules (although, a separate tool for arbitrary L-S coupling would
be more useful -- that's probably out of scope for Kalzium). This would make
the atom model tab a lot more informative.

Thank you for reading!

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