A TRUNCATION RECOUPLING METHOD FOR EIGENVALUES AND EIGENVECTORS IDEAL FOR PARALLEL COMPUTATION

We review a new truncation/recoupling method to obtain eigenvalues and eigenvectors of an F-mode vibrational Hamiltonian. In particular we focus on the block diagnonalization aspects of the method which are ideal for massive parallelization, and we demonstrate this using H2O2 as an example. We then present vibrational energies for non-rotating HO2 and HCN, which illustrate several key advantages of this method.