Bug 462766 - [Feature request] Include spin configuration and magnetic moment information
Summary: [Feature request] Include spin configuration and magnetic moment information
Status: REPORTED
Alias: None
Product: kalzium
Classification: Applications
Component: general (show other bugs)
Version: unspecified
Platform: Other Linux
: NOR wishlist
Target Milestone: ---
Assignee: Kalzium Developers
URL:
Keywords:
Depends on:
Blocks:
 
Reported: 2022-12-08 03:35 UTC by bonirar716
Modified: 2022-12-08 03:35 UTC (History)
0 users

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Description bonirar716 2022-12-08 03:35:53 UTC
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!