Spin–orbit induced predissociation dynamics of HCl+ and HBr+ ions: temporal and spectral representations

Spin–orbit induced predissociation of th

Spin–orbit induced predissociation of the B2Σg− and 22Σg+ states of the O2+ ion

✍ A. Mitrushenkov; P. Palmieri; G. Chambaud; P. Rosmus 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 181 KB

Highly correlated MRCI electronic wavefunctions are used to calculate the potential energy functions, the nonadiabatic and the spin-orbit coupling elements for the B 2 R À g and neighboring states of the O þ 2 ion. The results are employed in calculations of the spectroscopic constants and the spin-