Semiclassical electronic eigenvalues for charge asymmetric one-electron diatomic molecules: general method and sigma states

摘要: Abstract The primitive semiclassical method is applied to the motion of electron in an asymmetrically charged one-electron diatomic molecule fixed nucleus approximation. Using Einstein-Keller-Brillouin rules, approximations eigenvalues are found for planar (σ states). general diatom HeH2+. agreement between classical and quantum qualitatively good often quantitatively good, within a fraction percent. For two stable states considered, results fail at onset chemical bonding, emphasizing importance tunnelling. In contrast charge symmetric molecules, some non-bonding all internuclear separations. An interesting scaling law derived with common ratio numbers: (2n + 1)2 En(Rn) = (2m Em(Rm), where Rn Rm.