On the Fluorine Molecule. Part I. The Pilot Calculation

The energy levels of the fluorine molecules F2 are calculated by ASMO method. First and second quantum orbitals and configurations therefrom are all taken into account, resulting in D0=1.99 ev and Re=1.41 A. Vertical excitation energies of 1Σg+—1Πu and 1Σg+—3Πg are 5.21 ev and 3.93 ev, respectively. The importance of the configurations and of the inner-shell electrons to the ground state is discussed. Finally, the ionicities of the states are evaluated.