Journal of Chemical Physics, Vol.101, No.12, 10666-10676, 1994
Characterization of the Potential-Energy Surface of the HO2 Molecular-System by a Density-Functional Approach
Keywords:DIODE-LASER SPECTROSCOPY;MANY-BODY EXPANSION;HYPERFINE COUPLING-CONSTANTS;GAUSSIAN BASIS FUNCTIONS;ATOMIC BASIS SETS;FIRST-ROW ATOMS;ANO BASIS-SETS;THEORETICAL CHARACTERIZATION;MICROWAVE-SPECTRUM;HARTREE-FOCK