Reactive scattering with row-orthonormal hyperspherical coordinates. 3. Hamiltonian and transformation properties for pentaatomic systems.
The Hamiltonian for triatomic and tetraatomic systems in row-orthonormal hyperspherical coordinates has been derived previously. However, for pentaatomic systems this derivation requires nontrivial generalizations. These are presented in this paper, together with the corresponding Hamiltonian. Each of the twelve operators that contribute to this Hamiltonian is kinematic-rotation invariant. As for the triatomic and tetraatomic cases, these pentaatomic demcocratic coordinates are particularly well suited for calculations of reactive scattering in five atom systems.
Kuppermann
Aron
A
Arthur Amos Noyes Laboratory of Chemical Physics, Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA.