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.
In my mobile (Chrome) the orbital controls are over the image. They are half transparent, but I tried every orientation and they are always over the image.
Comments
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).
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.
In my mobile (Chrome) the orbital controls are over the image. They are half transparent, but I tried every orientation and they are always over the image.