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Register a new userThe Buffer Gas Beam: An Intense, Cold, and Slow Source for Atoms and Molecules
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Beams of atoms and molecules are stalwart tools for spectroscopy and studies of collisional processes. The supersonic expansion technique can create cold beams of many species of atoms and molecules. However, the resulting beam is typically moving at a speed of 300-600 m/s in the lab frame, and for a large class of species has insufficient flux (i.e. brightness) for important applications. In contrast, buffer gas beams can be a superior method in many cases, producing cold and relatively slow molecules in the lab frame with high brightness and great versatility. There are basic differences between supersonic and buffer gas cooled beams regarding particular technological advantages and constraints. At present, it is clear that not all of the possible variations on the buffer gas method have been studied. In this review, we will present a survey of the current state of the art in buffer gas beams, and explore some of the possible future directions that these new methods might take.
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We present an experimental realization of a moving magnetic trap decelerator, where paramagnetic particles entrained in a cold supersonic beam are decelerated in a co-moving magnetic trap. Our method allows for an efficient slowing of both paramagnetic atoms and molecules to near stopping velocities. We show that under realistic conditions we will be able to trap and decelerate a large fraction of the initial supersonic beam. We present our first results on deceleration in a moving magnetic trap by bringing metastable neon atoms to near rest. Our estimated phase space volume occupied by decelerated particles at final velocity of 50 m/s shows an improvement of two orders of magnitude as compared to currently available deceleration techniques.
We demonstrate cryogenic buffer-gas cooling of gas-phase methyltrioxorhenium (MTO). This molecule is closely related to chiral organometallic molecules where the parity-violating energy differences between enantiomers may be measurable. The molecules are produced with a rotational temperature of approximately 6~K by laser ablation of an MTO pellet inside a cryogenic helium buffer gas cell. Facilitated by the low temperature, we demonstrate absorption spectroscopy of the 10.2~$mu$m antisymmetric Re=O stretching mode of MTO with a resolution of 8~MHz and a frequency accuracy of 30~MHz. We partially resolve the hyperfine structure and measure the nuclear quadrupole coupling of the excited vibrational state.
Employing a two-stage cryogenic buffer gas cell, we produce a cold, hydrodynamically extracted beam of calcium monohydride molecules with a near effusive velocity distribution. Beam dynamics, thermalization and slowing are studied using laser spectroscopy. The key to this hybrid, effusive-like beam source is a slowing cell placed immediately after a hydrodynamic, cryogenic source [Patterson et al., J. Chem. Phys., 2007, 126, 154307]. The resulting CaH beams are created in two regimes. One modestly boosted beam has a forward velocity of vf = 65 m/s, a narrow velocity spread, and a flux of 10^9 molecules per pulse. The other has the slowest forward velocity of vf = 40 m/s, a longitudinal temperature of 3.6 K, and a flux of 5x10^8 molecules per pulse.
Barium monohydride (BaH) is an attractive candidate for extending laser cooling and trapping techniques to diatomic hydrides. The apparatus and high-resolution optical spectroscopy presented here demonstrate progress toward this goal. A cryogenic buffer-gas-cooled molecular beam of BaH was constructed and characterized. Pulsed laser ablation into cryogenic helium buffer gas delivers $sim1times10^{10}$ molecules/sr/pulse in the X$^2Sigma^+$ ($v=0,N=1$) state of primary interest. More than $1times10^7$ of these molecules per pulse enter the downstream science region with forward velocities below 100 m/s and transverse temperature of 0.1 K. This molecular beam enabled high-resolution optical spectra of BaH in quantum states relevant to laser slowing and cooling. The reported measurements include hyperfine structure and magnetic $g$ factors in the X$^2Sigma^+$, B$^2Sigma^+$, and A$^2Pi_{1/2}$ states.
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wave functions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit (CPU) and graphical processing unit (GPU) systems. We detail the programs capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://www.qmcpack.org .
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