Full quantum calculations of the line shape for H2O perturbed by Ar at temperatures from 20 to 300 K.

This work theoretically studied the spectral line shape of H2O perturbed by Ar in the temperature range of 20-300 K for the pure rotational lines below 360 cm-1, as well as three lines (31, 2 ← 44, 1, 54, 2 ← 41, 3, and 73, 5 ← 60, 6) in the v2 band. In order to perform precise dynamical calculations at low collision energies, a full-dimensional long-range potential energy surface was constructed for the H2O-Ar system for the first time to correct the long range of our newly developed intermolecular potential energy surface. Subsequently, the six line-shape parameters (pressure-broadening and -shifting parameters, their speed dependencies, and the complex Dicke parameters) were determined from the generalized spectroscopic cross section by the full quantum time-independent close-coupling approach on this new potential energy surface. Our theoretical results are in good agreement with the available experimental observations. Furthermore, the influence of the speed-dependence and Dicke narrowing effects on the line contour was revealed by comparing the differences among the Hartmann-Tran, quadratic-speed-dependent Voigt, and Voigt profiles. The temperature dependence of each line-shape parameter was further parameterized using the triplet-power-law for three pure rotational 61, 6 ← 52, 3, 41, 4 ← 32, 1, and 31, 3 ← 22, 0 lines. These line-shape parameters will provide a comprehensive set of theoretical references for subsequent experimental measurements.

Full quantum scattering calculations of the line-shape parameters for the P and R branches of HF perturbed by Ar.

This work studied the rovibrational absorption spectral line-shape parameters of the P(1)-P(10) and R(0)-R(9) lines for Hydrogen fluoride perturbed by argon in the 0-0, 1-0, and 2-0 vibrational bands at 20-1000 K. A dataset of beyond-Voigt line-shape parameters (pressure broadening and shifting parameters, their speed dependencies, and the complex Dicke parameters) has been theoretically determined for the first time from generalized spectroscopic cross-section calculated by the full quantum scattering calculations. Then these parameters were employed to predict the line shape and asymmetry based on the partially-correlated speed-dependent hard-collision and the partially-correlated quadratic-speed-dependent hard-collision profiles. The effect of each parameter on the line shape and line asymmetry was further studied, which revealed that the beyond-Voigt effects were indispensable to accurately describe the line shape contour. Our results are in good agreement with the available experimental observations and provide a comprehensive set of theoretical references for further experimental measurements.

ABC+D: A time-independent coupled-channel quantum dynamics program for elastic and ro-vibrational inelastic scattering between atoms and triatomic molecules in full dimensionality.

We discuss the details of a time-independent quantum mechanical method and its implementation for full-dimensional non-reactive scattering between a closed-shell triatomic molecule and a closed-shell atom. By solving the time-independent Schrödinger equation within the coupled-channel framework using a log-derivative method, the state-to-state scattering matrix (S-matrix) can be determined for inelastic scattering involving both the rotational and vibrational modes of the molecule. Various approximations are also implemented. The ABC+D code provides an important platform for understanding an array of physical phenomena involving collisions between atoms and molecules.

Fully quantum calculations of the line shape parameters for 1-0 P(22) and P(31) lines of CO perturbed by He or Ar.

This work reports the full quantum calculations of the spectral line shape parameters for the P(22) line of 13CO and the P(31) line of 12CO in the fundamental band perturbed by He or Ar from 20 to 1000 K for the first time. The generalized spectroscopic cross sections of CO-He/Ar indicate that the Dicke narrowing effect competes with the pressure broadening effect. The pressure broadening can be explained by the dynamic behaviors of intermolecular collisions. The intermolecular inelastic collisions contribute more than 95% to the pressure broadening in both CO-He and CO-Ar systems at high temperatures. Regarding the state-to-state inelastic contributions to pressure broadening, the maximum contribution out of the final state of a given line is close to that out of the initial state. The Dicke narrowing effect influences the line shape profile significantly at high temperatures, which suggests that it is indispensable for reproducing the spectral line profile. With the Dicke narrowing effect, the calculated pressure-broadening coefficients and spectral intensity distribution are in good agreement with the available experimental observations.

Accurate global adiabatic potential energy surfaces for three low-lying electronic states of AlH2 free radicals.

In order to obtain the all-round molecular properties of the AlH2 system and the corresponding dynamical characteristics of the Al + H2 (v = 0, j = 0) → H + AlH reaction, three significant global adiabatic potential energy surfaces of AlH2 (X2A1, 2B1, and 2B2) free radicals were constructed for the first time. Ab initio energies were calculated under the multi-reference configuration interaction method and the aug-cc-pV(T,Q)Z basis sets; then the ab initio energies were extrapolated to the complete basis sets limit. The three adiabatic potential energy surfaces were constructed by the many-body expansion theory. The maximum root-mean square error was just 50 cm-1, which was small enough to ensure that the potential energy surfaces were accurate. The concerned T-type insertion topographical features, dissociation schemes, C2v geometry reaction mechanisms, and minimum energy curve paths were investigated and are discussed in detail. Several differences from previous studies are also pointed out. Eventually, the integral cross-sections of Al + H2 (v = 0, j = 0) → H + AlH reaction as calculated by quasi-classical trajectory method were employed to predict the dynamical properties of AlH2, providing the most reliable theoretical reference of the dynamical characteristics known thus far for such a reaction. These new potential energy surfaces can be treated as a reliable basis for investigation of the dynamics and as a component for constructing larger aluminum-/hydrogen-containing systems.

Spin-orbit coupled degenerate Fermi gases.

In this Letter, we report the first experimental realization and investigation of a spin-orbit coupled Fermi gas. Both spin dephasing in spin dynamics and momentum distribution asymmetry of the equilibrium state are observed as hallmarks of spin-orbit coupling in a Fermi gas. The single particle dispersion is mapped out by using momentum-resolved radio-frequency spectroscopy. From momentum distribution and momentum-resolved radio-frequency spectroscopy, we observe the change of fermion population in different helicity branches consistent with a finite temperature calculation, which indicates that a Lifshitz transition of the Fermi surface topology change can be found by further cooling the system.

Contrasting Effects of Nitrogen Addition on Vegetative Phenology in Dry and Wet Years in a Temperate Steppe on the Mongolian Plateau.

Changes in spring and autumn phenology and thus growing season length (GSL) pose great challenges in accurately predicting terrestrial primary productivity. However, how spring and autumn phenology in response to land-use change and nitrogen deposition and underlying mechanisms remain unclear. This study was conducted to explore the GSL and its components [i.e., the beginning of growing season and ending of growing season (EGS)] in response to mowing and nitrogen addition in a temperate steppe on the Mongolia Plateau during 2 years with hydrologically contrasting condition [dry (2014) vs. wet (2015)]. Our results demonstrated that mowing advanced the BGS only by 3.83 days, while nitrogen addition advanced and delayed the BGS and EGS by 2.85 and 3.31 days, respectively, and thus prolonged the GSL by 6.16 days across the two growing seasons from 2014 to 2015. When analyzed by each year, nitrogen addition lengthened the GSL in the dry year (2014), whereas it shortened the GSL in the wet year (2015). Further analyses revealed that the contrasting impacts of nitrogen on the GSL were attributed to monthly precipitation regimes and plant growth rate indicated by the maximum of normalized difference vegetation index (NDVmax). Moreover, changes in the GSL and its two components had divergent impacts on community productivity. The findings highlight the critical role of precipitation regimes in regulating the responses of spring and autumn phenology to nutrient enrichment and suggest that the relationships of ecosystem productivity with spring and autumn phenology largely depend on interannual precipitation fluctuations under future increased nitrogen deposition scenarios.

Observation of collective atomic recoil motion in a degenerate fermion gas.

We demonstrate collective atomic recoil motion with a dilute, ultracold, degenerate fermion gas in a single spin state. By utilizing an adiabatically decompressed magnetic trap with an aspect ratio different from that of the initial trap, a momentum-squeezed fermion cloud is achieved. With a single pump pulse of the proper polarization, we observe, for the first time, multiple wave-mixing processes that result in distinct collective atomic recoil motion modes in a degenerate fermion cloud. Contrary to the case with Bose condensates, no pump-laser detuning asymmetry is present.

Large array of Schrödinger cat states facilitated by an optical waveguide.

Quantum engineering using photonic structures offer new capabilities for atom-photon interactions for quantum optics and atomic physics, which could eventually lead to integrated quantum devices. Despite the rapid progress in the variety of structures, coherent excitation of the motional states of atoms in a photonic waveguide using guided modes has yet to be demonstrated. Here, we use the waveguide mode of a hollow-core photonic crystal fibre to manipulate the mechanical Fock states of single atoms in a harmonic potential inside the fibre. We create a large array of Schrödinger cat states, a quintessential feature of quantum physics and a key element in quantum information processing and metrology, of approximately 15000 atoms along the fibre by entangling the electronic state with the coherent harmonic oscillator state of each individual atom. Our results provide a useful step for quantum information and simulation with a wide range of photonic waveguide systems.