Code Used:

DVR3D, (2004 published version)

INPUT:

Potential energy surface (PES) from Dinelli et al. (1995):  h3pdpt.f

Dipole moment surface (DMS) from Rohse et al. (1994): h3prkjk.dip

For basis sets etc. see Neale et al. (1996)

Notes:

The calculation was performed using C_2v symmetry rather than the full D_3h symmetry of H₃⁺. Only odd states were considered. These odd states include both the "para" E (g=2) and "ortho" A2 states (g=4) but do not distinguish between them. Some states were hand-assigned an appropriate symmetry and have the correct nuclear spin degeneracy factor (g). However most states are of unknown symmetry and are given the statistically averaged value of g, 8/3.