화학공학소재연구정보센터
Journal of Chemical Physics, Vol.116, No.15, 6618-6627, 2002
Molecular hydrogen 3s,d (3)Lambda(+)(g) complex revisited
The rovibronic term values, Lande factors, and radiative properties of all bound levels in the 3s,d (3)Lambda(g)(+) complex of H-2, D-2, and HD are evaluated in the framework of fully ab initio channel-coupling approach. The modified multichannel quantum-defect theory is employed to transform highly accurate ab initio Born-Oppenheimer electronic matrix elements borrowed from a literature to their diabatic counterparts avoiding explicit consideration of radial coupling effects. The radiative lifetimes of the most critical levels in the H-2 complex are remeasured by a delayed coincidence method. The accuracy of the predicted term values, Lande factors, transition probabilities and experimental lifetimes is sufficient to indicate the sources of disagreement in existing theory and experimental data.