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An electron density representation is easier to visualize. And far less epicycle-ly than orbitals. And easier to avoid error and artifact ("layer after layer",
by mncharity 6y ago
An electron density representation is easier to visualize. And far less epicycle-ly than orbitals. And easier to avoid error and artifact ("layer after layer", "electron pairs", etc). Chemistry education content is notable for leaving both students and teachers steeped in misconceptions.
Though how/whether it could be used to teach orgo is an open question. I've only seen a couple of isolated attempts. Needing new content, and non-trivial software, with isolated professors, has made progress unlikely, even if possible.
I've an barely-started lockdown project, using ASE/GPAW[1] to precompute trajectories and densities, for an AR browser interactive - playfully tugging on atoms blobbing as small molecules, realistically.
Imagine we taught elephants the way we teach atoms. Here's an early medieval drawing that looks... yikes (they're actually not that bad, so the analogy isn't great). Here's a table model. And a hose model. And an orbiting cell model that has everyone imagining breakdancing jellyfish. But nothing with the slightest resemblance to an elephant photo or toy. Let alone a realistic interactive.
If anyone knows of efforts to do better, I'd appreciate hearing of them - thanks!
[1] https://wiki.fysik.dtu.dk/ase/ https://wiki.fysik.dtu.dk/ase/ https://wiki.fysik.dtu.dk/gpaw/ https://wiki.fysik.dtu.dk/gpaw/