You Can (But Probably Shouldn't...) Visualise Atomic Orbitals in Excel
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- Опубликовано: 21 авг 2024
- I've been doing this trick for a while to help visualise atomic and even molecular orbitals. There are many, many ways to extend it. And it turns out that dynamic arrays make it a lot faster and easier.
Things you can extend it with, but aren't properly covered here:
* Add the functions to named ranges to make things much cleaner and easier to read.
* Use spin buttons to change the angle of the hybrid orbitals.
* Or mix/match sp hybrids by setting their coefficients to sine/cosine of an angle.
* Add in all the extra detail from the equations (it scales them correctly).
* Plot the probability by converting to |ψ|^2.
* For a real challenge, try to estimate an overlap integral between two functions.
* Generate molecular orbitals by adding functions that are in different positions - this can be done by changing x and y to (x-a) and (y-b) where a and b are relative coordinates of the atomic centres.