CURVILINEAR INTERNAL VALENCE COORDINATE HAMILTONIAN FOR AMMONIA

Author Institution: Laboratory of Physical Chemistry, University of Helsinki; Laboratory of Physical Chemistry, JILA, University of ColoradoA new six-dimensional vibrational Hamiltonian based on curvilinear internal valence coordinates is presented for ammonia. The square of the inversion coordinate adopted is similar to the often used out-of-plane bending coordinate for planar $XY_{3}$-type molecules. Conventional symmetrized internal coordinates are employed for the other vibrational degrees of freedom. The exact kinetic energy operator is given in closed form