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 H atom with the coordinate ( x , y ) moving around a fixed OH+ diatom with the bond length fixed at R OH+ = 1.943 a 0, which lies along the X axis with the center of the bond fixed at the origin. Contours are equally spaced by 0.0008 E h, starting at −0.21 E h. The dashed lines are contours equally spaced by −0.00006 E h, starting at −0.1946 E h. Also shown are the calculated ab initio points for the H atom moving around OH+ diatom.