The functional states of angular quantum numbers and Ne + H-2(+) (nu=0, j=2) -> NeH+ + H reaction mechanism

Abstract

The behaviors of Legendre polynomials representing angular movements are independent of the type of reaction and can be studied in detail paying attention to the changes on effective and centrifugal potentials. For the title reaction, dynamic calculations taking into account the effects of potential energy surfaces have been investigated using the real wave packet method on the most realistic potential energy surface (LZHH) recently obtained. The total electrical dipoles and energies were also calculated in the corresponding quantum states of the molecular system.