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Ab initio studies on the oscillator strength of the spin-forbidden transition in Cl 2

1984; NRC Research Press; Volume: 62; Issue: 12 Linguagem: Inglês

10.1139/p84-235

1208-6045

Friedrich Grein, Sigrid D. Peyerimhoff, Robert J. Buenker,

Quantum, superfluid, helium dynamics

A relatively strong absorption corresponding to the spin-forbidden transition [Formula: see text] of Cl 2 had been observed earlier. Ab initio spin-orbit studies at the ground state equilibrium distance were performed, allowing for the coupling of all excited states up to 90 000 cm −1 .It was found that only 2 1 Π u couples with 2 3 Π u to any significant extent. The oscillator strength for [Formula: see text] is calculated to be 0.0084, a factor of 8.3 smaller than the oscillator strength for [Formula: see text].