Browsing Department of Chemistry Faculty Publications by Author "Wang, Xiao-Gang"

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Using Monomer Vibrational Wavefunctions as Contracted Basis Functions to Compute Rovibrational Levels of an H2O-Atom Complex in Full Dimensionality

Wang, Xiao-Gang; Carrington, Tucker (2017-03-31)

In this paper, we present new ideas for computing rovibrational energy levels of molecules composed of two components and apply them to H2O–Cl−. When both components are themselves molecules, Euler angles that specify their ...