Ab Initio Potential Energy Surfaces for Both the Ground () and Excited () Electronic States of HSiBr and the Absorption and Emission Spectra of HSiBr/DSiBr
Figure 3
Contour plots of the potential energy surface of HSiBr () in the internal coordinates. (a) Contour plot at . (b) Contour plot at . (c) Contour plot at θ=117.7°. Contours are spaced by 0.15 eV with the zero defined at the HSiBr() minimum.
