A numerical variational method for calculating vibration intervals of bent triatomic molecules

摘要

A new combination of known methods is used to calculate vibrational energies and wave functions for bent symmetric triatomic molecules. The algorithm is a variational procedure which uses curvilinear coordinates, a numerical basis set, and numerical quadrature. Molecules studied include H2O, O3, H2D+, H2T+, and D2T+.