Gerade–ungerade symmetry breaking in bound states localized in the II′ ¹Π_g outer potential well of HD

Abstract

Gerade–ungerade symmetry breaking in HD for the bound states associated with the 1Πg outer well potential is investigated theoretically. The asymptotic behaviour of all the relevant non-adiabatic couplings between the states correlated to the n=2 dissociation limit has been determined. The calculation of the energies of states with f-parity reduces to finding the eigenvalues of a set of two coupled differential equations. For states of e-parity, a three-state model is required to represent the system correctly. The calculated energies are in excellent agreement with recent high resolution spectroscopic measurements.

Structure and dynamics of HD$^+$ in the vicinity of the H$^+$ + D and D$^+$ + H dissociation thresholds: Feshbach resonances and the role of g/u-symmetry breaking

“…The emphasis of the article is placed on (i) the structure and dynamics of HD in the H H 1 Σ + and so were numerous experimental and theoretical studies of isotopic effects near the dissociation thresholds of HD (see, e.g., Refs. [4][5][6][7][8][9][10][11] and references therein). HD + is the simplest molecular system that possesses a permanent electric dipole moment.…”