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CH4023 Quantum Chemistry

Perturbation theory. Eigenvalues to 2nd order and eigen functions to 1st order. Application: Ground state of the He atom, Start effect on (internal) rotation. n=2 state.

Quantum chemical theory of polymers: Block functions, Brillouin zones, energy bands in polyacetylene. Band gap and the Peierls instability. Density of states. Solitons and polarons in polyacetylene.

Lecture Notes:

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Last updated 24 August 2016 by School of Chemistry (Email).