Using a nondirect product discrete variable representation for angular coordinates to compute vibrational levels of polyatomic molecules.
In this paper we test a nondirect product discrete variable representation (DVR) method for solving the bend vibration problem and compare it with well-established direct product DVR and finite basis representation approaches.
Wang
Xiao-Gang
XG
Chemistry Department, Queen's University, Kingston, Ontario K7L 3N6, Canada. xiaogang.wang@umontreal.ca
Carrington
Tucker
T