Journal of Chemical Physics, Vol.102, No.14, 5719-5724, 1995
A Density-Functional Theory Study of the Alkali-Metal Atom Carbon-Monoxide Interactions - Singularity of the Li Atom
Keywords:POTENTIAL-ENERGY SURFACES;CO;POTASSIUM;COMPLEXES;ABINITIO;LITHIUM;SPECTRA;DESORPTION;FREQUENCY;PT(111)