Calculations of the iodine molecule potential curves
β Scribed by E.P. Gordeev; S.Ya. Umansky; A.I. Voronin
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 413 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The terms of the iodine molecule originating from the 'P~states of Ihe isolated atoms are calculated at large and intermediate distances. The quadrupole-quadrupole.
dispersion and exchange interactions nre t&en into account, the latter calculated with the help of the asymptotic method. The obtained pattern of the terms agrees with that suggested by Multiken.
π SIMILAR VOLUMES
The oxoborate ion BO-has been investigated at Ihe MC SCF fevel of approximation. using an augmented double-zeta tx~.&-Potenti me3 have been calculated for the three lowest stales. The results are compared to those ohtamed for 80 in a previous, simhu study.
Vibrational structure is resolved in the fkst two bands in the Ne I photoelectron spectrum of iodine. The ndiabatic IP is established by temperature wriation, and spectroscopic IP fcr both bands are found tc correspond to production of ions with three vibrational quanta. A photoionization %lalue for