Semi-classical treatment of chemical reactions Original Research Article

We investigate the full 3D semi-classical method for treating chemical reactions in hyperspherical coordinates. Two degrees of freedom are treated quantum mechanically, but the full classical dynamics is included for the remaining degrees of freedom. The method has been used for obtaining cross-sections for the reactions D + H2 → DH + H and D+ + H2 → DH+ + H, DH + H+, D + H2+. A new projection technique for rotationally averaged cross sections is suggested.