On the Fluorine Molecule. Part I. The Pilot Calculation

Abstract

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 R_e=1.41 A. Vertical excitation energies of ¹Σ_g⁺—¹Π_u and ¹Σ_g⁺—³Π_g 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.