Accurate line lists for three molecules, BeH, MgH and CaH, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 2000 K). A combination of empirical and ab initio methods is used. The rovibrational energy levels of BeH, MgH and CaH are computed using the programs level and dpotfit in conjunction with ‘spectroscopic’ potential energy curves (PECs). The PEC of BeH is taken from the literature, while the PECs of CaH and MgH are generated by fitting to the experimental transition energy levels. Both spin‐rotation interactions (except for BeH, for which it is negligible) and non‐adiabatic corrections are explicitly taken into account. Accurate line intensities are generated using newly computed ab initio dipole moment curves for each molecule using high levels of theory. Full line lists of rotation–vibration transitions for 9BeH, 24MgH, 25MgH, 26MgH and 40CaH are made available in an electronic form as supporting information to this paper and at http://www.exomol.com.

We consider single-particle properties in the one-dimensional repulsive Hubbard model at commensurate fillings in the metallic phase. We determine the real-time evolution of the retarded Green's function by matrix-product state methods. We find that at sufficiently late times the numerical results are in good agreement with predictions of nonlinear Luttinger liquid theory. We argue that combining the two methods provides a way of determining the single-particle spectral function with very high frequency resolution.Comment: 10 pages, 6 figures. Minor edits from v1. Version as publishe

We investigate the existence of quantum disentangled liquid (QDL) states in the half-filled Hubbard model on bipartite lattices. In the one dimensional case we employ a combination of integrability and strong coupling expansion methods to argue that there are indeed finite energy-density eigenstates that exhibit QDL behaviour in the sense of J. Stat. Mech. P10010 (2014). The states exhibiting the QDL property are atypical in the sense that while their entropy density is non-zero, it is smaller than that of thermal states at the same energy density. We argue that for U t these latter thermal states exhibit a weaker form of the QDL property, which carries over to the higher dimensional case.

We consider the optical conductivity σ 1 (ω) in the metallic phase of the one-dimensional Hubbard model. Our results focus on the vicinity of half filling and the frequency regime around the optical gap in the Mott insulating phase. By means of a density-matrix renormalization group implementation of the correction-vector approach, σ 1 (ω) is computed for a range of interaction strengths and dopings. We identify an energy scale E opt above which the optical conductivity shows a rapid increase. We then use a mobile impurity model in combination with exact results to determine the behavior of σ 1 (ω) for frequencies just above E opt which is in agreement with our numerical data. As a main result, we find that this onset behavior is not described by a power law.

We consider the optical conductivity in the one dimensional Hubbard model in the metallic phase close to half filling. In this regime most of the spectral weight is located at frequencies above an energy scale Eopt that tends towards the optical gap in the Mott insulating phase for vanishing doping. Using the Bethe Ansatz we relate Eopt to thresholds of particular kinds of excitations in the Hubbard model. We then employ a mobile impurity models to analyze the optical conductivity for frequencies slightly above these thresholds. This entails generalizing mobile impurity models to excited states that are not highest weight with regards to the SU(2) symmetries of the Hubbard chain, and that occur at a maximum of the impurity dispersion.