Laser control actively manipulates the quantum interferences of molecular wave functions to achieve specified photochemical reactions with high probability and selectivity.
According to the Pauli principle the molecular wave function is antisymmetric with parity −1 with respect to the exchange of the two identical protons.
The errors due to the Hartree-product approximation for the molecular wave function in X-Pol can be systematically corrected using variational and embedding many-body expansions (VMB n and EMB n).
As stated earlier, NPA has been developed to calculate atomic charges and orbital populations of molecular wave functions in general atomic orbital basis sets.
It's the same thing with molecules -- a molecular wave function just means a molecular orbital.
And what we end up for our molecular wave function is sigma 1 s.
Vrakking, M. J. J., Villeneuve, D. M. & Stolow, A. Observation of fractional revivals of a molecular wave packet.
But now we're talking not about an atomic wave function, we're talking about a molecular wave function.
This effect occurs in molecules containing identical nuclei whenever spin and rotational states are coupled, thus imposing symmetry requirements on the molecular wave function.
So we can draw that for 1 s a, we can also draw it for 1 s b, and what I'm saying for the molecular wave function is that we have the interference between the two, and we have a constructive interference, so we end up adding these two wave functions together.
