Potential curves and molecular properties of Na2+

✍ Scribed by C.J. Cerjan; K.K. Docken; A. Dalgarno

• Publisher: Elsevier Science
• Year: 1976
• Tongue: English
• Weight: 423 KB
• Volume: 38
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(76)80002-4

✦ Synopsis

A model potential method in which a molccl;lc is described as P single clectronmoving in the field of two poluizable cores is used to calculate the potential energy CUIVCS and the wavefunctions of the lowest six electronic states of the moleculw ion Na;. The ground Xzxg state has a dissociation energy of 0,98 eV at an equiliirium separation of 3.3A and the excited '11, state has I dissociation energy of 0.23 eV at an equilibrium sepnration of 5.2.k. Various molecular properties of these two bound states are calculated. An analysis of the long range behaviour of all the six srates is presented.