Abstract
For the first time a nonadiabatic (all-particle) calculation has been carried out for the electric polarizabilities and hyperpolarizabilities of , H, and in their lowest rovibronic states. The value of the hyperpolarizability is dramatically different from that which would be assumed from calculations based on the Born-Oppenheimer approximation unless account is taken of a vibrational contribution which (unlike its counterpart for the polarizability) is nonzero even for a homonuclear diatomic molecule. For we find that a.u. and a.u.
- Received 1 August 1985
DOI:https://doi.org/10.1103/PhysRevLett.55.1986
©1985 American Physical Society