Formation of Ultracold Molecules by Merging Optical Tweezers.

We demonstrate the formation of a single RbCs molecule during the merging of two optical tweezers, one containing a single Rb atom and the other a single Cs atom. Both atoms are initially predominantly in the motional ground states of their respective tweezers. We confirm molecule formation and establish the state of the molecule formed by measuring its binding energy. We find that the probability of molecule formation can be controlled by tuning the confinement of the traps during the merging process, in good agreement with coupled-channel calculations. We show that the conversion efficiency from atoms to molecules using this technique is comparable to magnetoassociation.

Production of Ultracold 87 Rb133 Cs in the Absolute Ground State: Complete Characterisation of the Stimulated Raman Adiabatic Passage Transfer.

We present the production of ultracold 87 RbCs molecules in the electronic, rovibrational and hyperfine ground state, using stimulated Raman adiabatic passage to transfer the molecules from a weakly bound Feshbach state. We measure one-way transfer efficiencies of 92(1)% and fully characterise the strengths and linewidths of the transitions used. We model the transfer, including a Monte Carlo simulation of the laser noise, and find this matches well with both the transfer efficiency and our previous measurements of the laser linewidth and frequency stability.

Ultracold dense samples of dipolar RbCs molecules in the rovibrational and hyperfine ground state.

We produce ultracold dense trapped samples of ^{87}Rb^{133}Cs molecules in their rovibrational ground state, with full nuclear hyperfine state control, by stimulated Raman adiabatic passage (STIRAP) with efficiencies of 90%. We observe the onset of hyperfine-changing collisions when the magnetic field is ramped so that the molecules are no longer in the hyperfine ground state. A strong quadratic shift of the transition frequencies as a function of applied electric field shows the strongly dipolar character of the RbCs ground-state molecule. Our results open up the prospect of realizing stable bosonic dipolar quantum gases with ultracold molecules.

Creation of ultracold

We report the creation of a sample of over 1000 ultracold ^{87}Rb^{133}Cs molecules in the lowest rovibrational ground state, from an atomic mixture of ^{87}Rb and ^{133}Cs, by magnetoassociation on an interspecies Feshbach resonance followed by stimulated Raman adiabatic passage (STIRAP). We measure the binding energy of the RbCs molecule to be hc×3811.576(1) cm^{-1} and the |v^{''}=0,J^{''}=0⟩ to |v^{''}=0,J^{''}=2⟩ splitting to be h×2940.09(6) MHz. Stark spectroscopy of the rovibrational ground state yields an electric dipole moment of 1.225(3)(8) D, where the values in parentheses are the statistical and systematic uncertainties, respectively. We can access a space-fixed dipole moment of 0.355(2)(4) D, which is substantially higher than in previous work.

Generating mesoscopic Bell states via collisions of distinguishable quantum bright solitons.

We investigate numerically the collisions of two distinguishable quantum matter-wave bright solitons in a one-dimensional harmonic trap. We show that such collisions can be used to generate mesoscopic Bell states that can reliably be distinguished from statistical mixtures. Calculation of the relevant s-wave scattering lengths predicts that such states could potentially be realized in quantum-degenerate mixtures of 85Rb and 133Cs. In addition to fully quantum simulations for two distinguishable two-particle solitons, we use a mean-field description supplemented by a stochastic treatment of quantum fluctuations in the soliton's center of mass: we demonstrate the validity of this approach by comparison to a mathematically rigorous effective potential treatment of the quantum many-particle problem.

TDDFT diagnostic testing and functional assessment for triazene chromophores.

A simple diagnostic test based on orbital overlap [M. J. G. Peach et al., J. Chem. Phys., 2008, 128, 044118] may be used to help judge the reliability of excitation energies in time-dependent density functional theory (TDDFT) when using generalized gradient approximation (GGA) and hybrid functionals. Orbital plots are used to illustrate the test for a model tripeptide and for 4-(N,N-dimethylamino)benzonitrile, which are representative of systems containing low- and high-overlap charge-transfer excitations. The scheme is then applied to a series of triazene chromophores in solvent, highlighting the relationship between overlap and oscillator strength and its implications for theoretical absorption spectra. No low-overlap excitations are observed with a hybrid functional; a single one is identified using a GGA. To assess the diagnostic test and to judge functional performance, gas phase triazene TDDFT excitations are compared with correlated ab initio values. The diagnostic test correctly identifies two low-overlap problematic GGA excitations. However, it does not identify another problematic excitation where the electron is excited to a spatially extended orbital, which necessarily has reasonable overlap with the occupied orbital; an improved diagnostic quantity is required for such cases. The best agreement between TDDFT and correlated ab initio excitations is obtained using a Coulomb-attenuated functional; the errors are significantly smaller than from the GGA and hybrid functionals. The study provides further support for the high quality excitations from Coulomb-attenuated functionals, negating the need for diagnostic tests.