513.001 Molecular and Solid State Physics

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Wolfram Alpha

Physical
Constants

Periodic System
of Elements

      

Carbon monoxide

(a) What is the total Hamiltonian for a carbon monoxide CO molecule? (You don't have to write out all the electron-electron terms. Just make it clear how many terms there are and what form they have.)

(b) If we apply the Born-Oppenheimer approximation and then neglect the electron-electron interactions the Hamiltonian is simplified to a multielectron Hamiltonian that can be solved by the separation of variables (Trennung der Veränderlichen). After the separation of variables has been performed, the molecular orbital Hamiltonian for a single electron must be solved. What is the molecular orbital Hamiltonian for carbon monoxide?

(c) How could valence bond theory be used to calculate the C-O bond length?