Explain the molecular orbitals as a linear combination

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Reference no: EM13237772

As we discussed in class, we are not necessarily limited to using a minimal basis set. We may write the molecular orbitals as a linear combination of as many atomic orbitals as we wish.

(a) Draw the MO diagram for the H2- anion, now including the 2s and 2p atomic orbitals.

(b) Determine the number of configurations involved in a full CI expansion if these MOs were included, as well.

Reference no: EM13237772

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