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by rini17 129 days ago
Nice, I'm curious about the orbitals. Is it possible to visualize H2 or larger molecules?

And for me controls obscure the picture, probably because I'm on phone with square screen(Unihertz Titan).

1 comments

The orbital of a single atom have a simple closed formula.

H2 is harder, you must determine the distance, make some aproximations and solve the problem that is like the eigenvalues of a matrix, and there is no closed form

With more atoms/electrons the matrix gets exponentialy bigger. Without too many aproximations, probably water is the biggest one you can solve.

If you want something bigger like most molecules in biology, you must do more aproximations. If you want to go down the rabit hole, try googling DFT.