Question

P9D.2 (a) Suppose that a molecular orbital of a heteronuclear diatomic molecule is built from the orbital basis A, B, and C,

and the corresponding secular determinant.

P9D.2 (a) Suppose that a molecular orbital of a heteronuclear diatomic molecule is built from the orbital basis A, B, and C, where B and C are both on one atom. Set up the secular equations for the values of the coefficients
and the corresponding secular determinant.
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Answer #1

Since B and C both orbital basis are on one atom,so we can take either A and B for overlap or A and C ,to form Secular determinant equations.

When we consider heterogeneous molecules, the degeneracy is not present, and we must rethink the results.

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