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An orbital is a mathematical function describing an exact or approximated one-electron wavefunction in either an atom ( for atomic orbitals) or in a molecule (molecular orbitals).

1 vote
4 answers
8k views

Physical intuition behind negative values for wave function?

So a positive and a positive wave function create a bonding orbital where the probability of finding an electron is summed while a positive and a negative create an anti-bonding orbital with a lower e …
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0 votes
1 answer
165 views

Software to calculate electron binding energy of molecules?

I need to calculate the binding energies for the various electrons in a few different molecules (to determine an appropriate wavelength to selectively ionize them). Are there any software packages to …
28 votes
2 answers
3k views

Is there experimental verification of the s, p, d, f orbital shapes?

Have there been any experiments performed (or proposed) to prove that the shapes of the s,p,d,f orbitals correspond to our spatial reality as opposed to just being a figment of the mathematics that give …
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