Quantum Chemistry 8.4 – Secular Determinant

Short lecture on a simplification of the secular determinant for 2 basis functions.

The linear variational method applied to a trial wavefunction with 2 basis functions leads to a straightforward interpretation of the energy levels. In the absence of coupling, each energy level is the energy of each basis function. Coupling causes the states to mix and the energies to diverge further away from one another.

Notes Slide: http://i.imgur.com/HtQM8nx.png

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