Single Orbital Configurations and Wavefunctions
Basic quantum mechanics defines the possible single orbital wavefunctions. In any software implementation, these will be provided either as a table or through a set of logic statements.
The following table shows the possible couplings for a orbital with one or two electrons.
| Orbital Configuration | Term symbol | projection |
|---|---|---|
The next table shows the fifteen possible couplings for a orbital. The orbitals also each generate fiftenn possible couplings, all of which can be easily inferred from this table.
| Orbital Configuration | Term symbol | Lambda coupling | projection |
|---|---|---|---|
Similar tables can be constructed for atomic systems, which transform according to the point group of the sphere, that is for s, p, d, f orbitals. The number of term sysmbols and therefore possible couplings is significantly larger in the atomic case.
Read more about this topic: Configuration State Function
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