Dr. William Polik
Polyad is a computer program that constructs sets of strongly interacting vibrational states from resonant interactions. It utilizes the multi-resonant Hamiltonian model which accounts for resonances directly and handles weaker interactions using second order perturbation theory. The model is defined at runtime and includes harmonic, anharmonic, and resonance constants. Polyad connects theory to experiment by predicting energy levels within a user-defined energy range from spectroscopic constants, fitting spectroscopic constants to a set of spectroscopic data, and assessing agreement between a computed model and a spectrum. Results are provided for vibrational levels of water with up to 15,000 cm-1 of energy.
Repository citation: Kammeraad, Joshua, "POLYAD: Predicting and Fitting Mixed Vibrational States to a Multi-Resonant Hamiltonian" (2014). 13th Annual Celebration of Undergraduate Research and Creative Performance (2014). Paper 27.
April 11, 2014. Copyright © 2014 Hope College, Holland, Michigan.