Globally accurate ab initio based potential energy surface of H2O+( X 4A″)*
Song Yu-Zhi†, Zhang Yuan, Zhang Lu-Lu, Gao Shou-Bao, Meng Qing-Tian
       
Contour plot for O+ with the coordinate ( x , y ) moving around a fixed H2 diatom in equilibrium geometry R H2 = 1.401 a 0, which lies along the X axis with the center of the bond fixed at the origin. Contours are equally spaced by 0.002 E h, starting at −0.196 E h. The dashed area is contours equally spaced by −0.0002 E h, starting at −0.1745 E h. Also shown are the calculated ab initio points for the O+ atom moving around H2 diatom.