ELECTRON-NUCLEAR DYNAMICS OF H++H2O COLLISIONS

Proton water collisions at 46 eV in the center of mass frame are studi ed within the electron nuclear dynamics theory (END). The electronic d egrees of freedom are described with a coherent state formulation of d eterminantal wavefunctions. The nuclei are treated as classical partic les but full nonadiabatic couplings are retained. The equations of mot ion are formulated in a generalized phase space and bypass the use of preconstructed potential energy surfaces. Differential cross sections for inelastic and electron transfer reactions as well as energy transf er are compared with experiment. (C) 1997 Elsevier Science B.V.