ملخص
We derive and demonstrate an invariant imbedding method for calculating the S matrix for scattering problems involving a first derivative term in the Schrödinger equation for the relative motion. This method can be used directly on scattering problems derived using molecular structure calculations that determine adiabatic potential energies and their derivative coupling matrix elements. A critical discussion of the procedures that transform from an adiabatic to a diabatic representation is presented.
اللغة الأصلية | الإنجليزيّة |
---|---|
الصفحات (من إلى) | 9704-9708 |
عدد الصفحات | 5 |
دورية | Journal of Chemical Physics |
مستوى الصوت | 99 |
رقم الإصدار | 12 |
المعرِّفات الرقمية للأشياء | |
حالة النشر | نُشِر - 1993 |
منشور خارجيًا | نعم |