申論題

2. The bonding in Hydrogen Iodide (HI) can be described by a two orbital interaction between the 1s orbital on Hydrogen and the 5p orbital on lodine. The Hamiltonian matrix clements (coulomb integrals, exchange integral and overlap integral) are:

Assume that the molecular wave function is: 

(b)  Use your answer in part (a) to calculate the coefficients, and C₁, in the Normlized anti-bonding orbital. If you are not sure of the energy, then use = -8.0 eV to work out this part.