The NO(X-2 Pi)-Ne complex. II. Investigation of the lower bound states based on new potential energy surfaces

High-quality ab initio potential energy surfaces were calculated and subseq uently used to predict the positions of the lowest bend-stretch vibrational states of the NO(X(2)Pi ,v=0)-Ne complex. The vibrational wavefunctions an d basis set expansion coefficients, determined within the adiabatic bender model, were then used to simulate the observed spectrum for excitation of t he NO(X(2)Pi ,v=2)-Ne complex. The overall position and rotational substruc ture matches well the experimental results for this system, which are prese nted in the preceding article [Y. Kim, J. Fleniken and H. Meyer, J. Chem. P hys. 114, 5577 (2001)]. A heuristic Hamiltonian, which includes the most im portant couplings and splittings, is used to improve the fit to experiment. (C) 2001 American Institute of Physics.