- Because of the number of interactions and the electron electron repulsion present in the molecule , the energy level cannot be calculated
- Then , we must go for an approximation method
- Linear combination of atomic orbital - LCAO is one of the approximation method
- $H_2^{+}$($H_A$ and $H_B$) - there is only one electron
- The atomic orbitals of $H_A$ can be described by wave function $\phi_A$
- The atomic orbitals of $H_B$ can be described by wave function $\phi_B$
- If the electron is present near the $H_A$ then the molecule can be described by $\phi_A$
- If the electron is present near the $H_B$ then the molecule can be described by $\phi_B$
- If the electron is present in between the $H_A$ and $H_B$ then the molecule can be described by $\phi_A \pm \phi_B$
