Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisited

So far, most studies of the geometric phase effect have presumed that the p hase is path-independent; hence, one must supply another restriction concer ning the boundary condition on the nuclear wave functions when dealing with nonsymmetric isotopomers of X-3 systems. We report calculations of the vib rational spectra of HD2 using a recently proposed generalized Born-Oppenhei mer (GBO) formalism. The calculations demonstrate that there are significan t differences between the results calculated from the present GBO method an d those based on the preceding presumption. (C) 2001 John Wiley & Sons, Inc . Int J Quantum Chem 83: 279-285, 2001.