Question: 1. Write down (in atomic units) the Hamiltonian for H+ including all electronic and nuclear terms. You may leave out the nuclear kinetic energy.

1. Write down (in atomic units) the Hamiltonian for H+ including all electronic and nuclear terms. You may leave out the nuclear kinetic energy. 2. Write down (in atomic units) the Hamiltonian for H2 including all electronic and nuclear terms. You may leave out the nuclear kinetic energy. 3. Write down (in atomic units) the Hamiltonian for H including all electronic and nuclear terms. You may leave out the nuclear kinetic energy. 4. Calculate the bond orders for H2*, H2, and H2 and use these to rationalize the relative order of the bond lengths in these three systems.

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1 The Hamiltonian for H2 including all electronic and nuclear terms can be written as H 12 12 12 22 ... View full answer

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