Quantum Chemistry 10.12 – Total Wavefunction Symmetry

Short lecture on the inversion symmetry of diatomic molecular wavefunctions.

Each individual molecular orbital in a homonuclear diatomic molecule is either symmetric (gerade) or antisymmetric (ungerade) with respect to inversion. If there are an even number of ungerade occupied spin orbitals, the total wavefunction symmetry is gerade. If there are an odd number, the total wavefunction symmetry is ungerade.

Notes Slide: http://i.imgur.com/X7Clo1l.png

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