We calculate the microwave spectra of ultracold
40K87Rb alkali-metal dimers, including hyperfine interactions and in the presence of electric and magnetic fields. We show that microwave transitions may be used to transfer molecules between different hyperfine states, but only because of the presence of nuclear quadrupole interactions. Hyperfine splittings may also complicate the use of ultracold molecules for quantum computing. The spectrum of molecules oriented in electric fields may be simplified dramatically by applying a simultaneous magnetic field.
We theoretically investigate the properties of highly polar diatomic molecules containing
2S-state transition-metal atoms. We calculate potential energy curves, permanent electric dipole moments, spectroscopic constants, and leading long-range dispersion-interaction coefficients for molecules consisting of either a Cu or Ag atom interacting with an alkali-metal (Li, Na, K, Rb, Cs, Fr) or alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atom. We use ab initio electronic structure methods, such as the coupled cluster and configuration interaction ones, with large Gaussian basis sets and small-core relativistic-energy-consistent pseudopotentials. We predict that the studied molecules in the ground electronic state are strongly bound with highly polarized covalent or ionic bonds resulting in very large permanent electric dipole moments. We find that highly excited vibrational levels have maximal electric dipole moments, e.g., exceeding 13 D for CsAg and 6 D for BaAg. Results for
Cu2,Ag2, and CuAg are also reported. The studied molecules may find application in ultracold dipolar many-body physics, controlled chemistry, or precision measurement experiments.
Calculations of the limitations imposed by radiation trapping on the polarization of an alkali-metal atomic beam by optical pumping are presented. In an atomic beam radiation trapping limits the density of alkali-metal atoms that can be highly polarized by optical pumping. This density is about 1/3 the density of an alkali-metal vapor that can be highly polarized by optical pumping. In a low magnetic field the maximum intensity of an atomic beam that can be optically pumped is a few particle milliamperes.