Quantum-statistical transition probabilities in diabatic 2D-potential surfaces. Influence of coupling in the potential terms.

Theoretical 3D study of transition state

Theoretical 3D study of transition state resonances for the H + H2 reaction using two coupled diabatic potential energy surfaces

✍ A.J.C. Varandas; H.G. Yu 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 358 KB

A 3D time-dependent wavepacket propagation method has been used to study the transition state resonances on the two coupled diabatic states of the H 3 DMBE potential energy surface. We report 14 zero-bend resonances which are found to be in good agreement with the corresponding results calculated us