Eigenchannel wave functions are identified as the continuum analog of discretehyphen;state eigenfunctions familiar from molecular structure calculations. As examples, eigenchannel wave functions are plotted for shapehyphen;resonant and nonresonant eigenchannels of N2. Both types of functions show characteristic nodal patterns. The penetration over a narrow energy range of the resonant wave function through a potential barrier into the molecular interior, the key feature of shapehyphen;resonant states, is clearly seen for the example of the N2fhyphen;wavehyphen;dominated sgr;ushape resonance at 1.2 Ry electron kinetic energy. This visualization of continuum electronic amplitudes should prove to be a significant new tool in the study of continuum electronndash;molecule dynamics.
展开▼
