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Il Nuovo Cimento (1955-1965)

, Volume 3, Issue 5, pp 893–901 | Cite as

Electronic states of diatomic molecules: The O 2 + molecular ion

  • P. Bassani
  • E. Montaldi
  • F. G. Fumi
Article

Summary

The scheme proposed by Fumi and Parr for the calculation of electronic energy levels of diatomic molecules is applied to the oxygen molecular ion in the π-electron approximation, using one empirical parameter. The vertical excitation energies from the ground state2πg to the4πu and2πu states are computed as functions of distance between 1.01 å and 1.46 å, and they agree with the observed values within 0.1 eV. The relative position of the4πu and2πu states is predicted correctly. The excitation energies to the unobserved states2Φu,4πg and2Φg were also computed, but should be considered of purely indicative value.

Riassunto

Lo schema proposto da Fumi e Paer per il calcolo dei livelli elettronici di molecole biatomiche viene applicato allo ione molecolare di ossigeno nella approssimazione degli elettroniπ usando un parametro empirico. Le energie di eccitazione verticali dallo stato fondamentale2πg, agli stati4πu e2πu sono calcolate in funzione della distanza fra 1.01 å ed 1.46 å, e concordano con i valori osservati entro 0.1 eV. La posizione relativa degli stati4πu e2πu è prevista correttamente. Le energie di eccitazione agli stati non osservati2Φu,4Φg e2Φg sono anche state calcolate, ma devono essere considerate puramente indicative.

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References

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    P. G. Fumi andR. G. Park:Journ. Chem. Phys.,21, 1864 (1953).ADSCrossRefGoogle Scholar
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    Spectral data and ionization potentials are taken from Landolt-Börnstein Tables, Vol. I, 1950, as in reference (1).Google Scholar
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Copyright information

© Società Italiana di Fisica 1956

Authors and Affiliations

  • P. Bassani
    • 1
    • 2
  • E. Montaldi
    • 1
    • 2
  • F. G. Fumi
    • 1
    • 2
  1. 1.Instituto di Scienze Fisiche dell’UniversitàMilano
  2. 2.Gruppo di Fisiea dei SolidiItaly

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