Resonance positions and widths by complex scaling and modified stabilization methods: van der Waals complex NeICl

The discrete variable representation (DVR) formulation of the complex coordinate method as has been used for calculating several resonances of NeICl [J. Chem. Phys. 98, 1888 (1993)], and a modified version of the recent developed stabilization method [Phys. Rev. Lett. 70, 1932 (1993)] are used for calculating all 30 isolated narrow resonances of NeICl (B, ν=2). The two ℒ2 methods require a similar computational effort. The modified stabilization method requires the calculations of eigenvalues of real and symmetric Hamiltonian matrices in a sequence of ever larger enclosing boxes. The complex DVR method requires the use of complex arithmetic and calculations of eigenvalues of complex symmetrical matrices.