화학공학소재연구정보센터
Journal of Chemical Physics, Vol.108, No.18, 7623-7630, 1998
Energy switching approach to potential surfaces. III. Three-valued function for the water molecule
A recently proposed two-valued energy switching potential energy surface for the water molecule [J. Chem. Phys. 107, 867 (1997)] is modified to incorporate the proper dissociation limits in all channels pertaining to the first excited (1)A' electronic state, in addition to those of the ground state. A brief analysis of the loci of conical intersections is also presented.