The ground-state properties of one-dimensional 3He are studied using quantum Monte Carlo methods. The equation of state is calculated in a wide range of physically relevant densities and is well reproduced by a power-series fit. The Luttinger liquid theory is found to describe the long-range properties of the correlation function. The density dependence of the Luttinger parameter is explicitly found and interestingly it shows a non-monotonic behavior. Depending on the density, the static structure factor can be a smooth function of the momentum or might contain a peak of a finite or infinite height. Although no phase transitions are present in the system, we identify a number of physically different regimes, including an ideal Fermi gas, a Bose-gas, a super-Tonks-Girardeau regime, and a quasi-crystal.
We present a theoretical study of the dynamic structure function of a resonantly interacting two-component Fermi gas at zero temperature. Our approach is based on dynamic many-body theory able to describe excitations in strongly correlated Fermi systems. The fixed-node diffusion Monte Carlo method is used to produce the ground-state correlation functions which are used as an input for the excitation theory. Our approach reproduces recent Bragg scattering data in both the density and the spin channel. In the BCS regime, the response is close to that of the ideal Fermi gas. On the BEC side, the Bose peak associated with the formation of dimers dominates the density channel of the dynamic response. When the fraction of dimers is large our theory departs from the experimental data, mainly in the spin channel.
Molecular para-hydrogen has been proposed theoretically as a possible candidate for superfluidity, but the eventual superfluid transition is hindered by its crystallization. In this work, we study a metastable non crystalline phase of bulk p-H2 by means of the Path Integral Monte Carlo method in order to investigate at which temperature this system can support superfluidity. By choosing accurately the initial configuration and using a non commensurate simulation box, we have been able to frustrate the formation of the crystal in the simulated system and to calculate the temperature dependence of the one-body density matrix and of the superfluid fraction. We observe a transition to a superfluid phase at temperatures around 1 K. The limit of zero temperature is also studied using the diffusion Monte Carlo method. Results for the energy, condensate fraction, and structure of the metastable liquid phase at T=0 are reported and compared with the ones obtained for the stable solid phase.
We study the elasticity of perfect 4He at zero-temperature using the diffusion Monte Carlo method and a realistic semi-empirical pairwise potential to describe the He-He interactions. Specifically, we calculate the value of the elastic constants of hcp helium C_{ij} as a function of pressure up to 110 bar. It is found that the pressure dependence of all five non-zero C_{ij} is linear and we provide accurate parametrization of each of them. Our elastic constants results are compared to previous variational calculations and low-temperature measurements and in general notably good agreement is found among them. Furthermore, we report T = 0 results for the Gruneisen parameters, sound velocities and Debye temperature of hcp 4He. This work represents the first of a series of computational studies aimed at thoroughly characterizing the response of solid helium to external stress-strain.
Using quantum Monte Carlo we have studied the superfluid density of the first layer of $^4$He and H$_2$ adsorbed on graphene and graphite. Our main focus has been on the equilibrium ground state of the system, which corresponds to a registered $sqrt3 times sqrt3$ phase. The perfect solid phase of H$_2$ shows no superfluid signal whereas $^4$He has a finite but small superfluid fraction (0.67%). The introduction of vacancies in the crystal makes the superfluidity increase, showing values as large as 14% in $^4$He without destroying the spatial solid order.
This work expands recent investigations in the field of spin-polarized tritium (T$downarrow$) clusters . We report the results for the ground state energy and structural properties of large T$downarrow$ cl usters consisting of up to 320 atoms. All calculations have been performed with variational and diffusi on Monte Carlo methods, using an accurate {it ab initio} interatomic potential. Our results for $N le q 40$ are in good agreement with results obtained by other groups. Using a liquid-drop expression for t he energy per particle, we estimate the liquid equilibrium density, which is in good agreement with our recently obtained results for bulk T$downarrow$. In addition, the calculations of the energy for larg e clusters have allowed for an estimation of the surface tension. From the mean-square radius of the dr op, determined using unbiased estimators, we determine the dependence of the radii on the size of the c luster and extract the unit radius of the T$downarrow$ liquid.
The ground-state properties of spin-polarized tritium T$downarrow$ at zero temperature are obtained by means of diffusion Monte Carlo calculations. Using an accurate {em ab initio} T$downarrow$-T$downarrow$ interatomic potential we have studied its liquid phase, from the spinodal point until densities above its freezing point. The equilibrium density of the liquid is significantly higher and the equilibrium energy of $-3.664(6)$ K significantly lower than in previous approximate descriptions. The solid phase has also been studied for three lattices up to high pressures, and we find that hcp lattice is slightly preferred. The liquid-solid phase transition has been determined using the double-tangent Maxwell construction; at zero temperature, bulk tritium freezes at a pressure of $P=9(1)$ bar.
The zero-temperature equation of state is analyzed in low-dimensional bosonic systems. In the dilute regime the equation of state is universal in terms of the gas parameter, i.e. it is the same for different potentials with the same value of the s-wave scattering length. Series expansions of the universal equation of state are reported for one- and two- dimensional systems. We propose to use the concept of energy-dependent s-wave scattering length for obtaining estimations of non-universal terms in the energy expansion. We test this approach by making a comparison to exactly solvable one-dimensional problems and find that the generated terms have the correct structure. The applicability to two-dimensional systems is analyzed by comparing with results of Monte Carlo simulations. The prediction for the non-universal behavior is qualitatively correct and the densities, at which the deviations from the universal equation of state become visible, are estimated properly. Finally, the possibility of observing the non-universal terms in experiments with trapped gases is also discussed.
The equation of state of a weakly interacting two-dimensional Bose gas is studied at zero temperature by means of quantum Monte Carlo methods. Going down to as low densities as na^2 ~ 10^{-100} permits us for the first time to obtain agreement on beyond mean-field level between predictions of perturbative methods and direct many-body numerical simulation, thus providing an answer to the fundamental question of the equation of state of a two-dimensional dilute Bose gas in the universal regime (i.e. entirely described by the gas parameter na^2). We also show that the measure of the frequency of a breathing collective oscillation in a trap at very low densities can be used to test the universal equation of state of a two-dimensional Bose gas.
We study molecular para-hydrogen (p-${rm H_{2}}$) and ortho-deuterium (o-${rm D_{2}}$) in two dimensions and in the limit of zero temperature by means of the diffusion Monte Carlo method. We report energetic and structural properties of both systems like the total and kinetic energy per particle, radial pair distribution function, and Lindemanns ratio in the low pressure regime. By comparing the total energy per particle as a function of the density in liquid and solid p-${rm H_{2}}$, we show that molecular para-hydrogen, and also ortho-deuterium, remain solid at zero temperature. Interestingly, we assess the quality of three different symmetrized trial wave functions, based on the Nosanow-Jastrow model, in the p-${rm H_{2}}$ solid film at the variational level. In particular, we analyze a new type of symmetrized trial wave function which has been used very recently to describe solid $^{4}$He and found that also characterizes hydrogen satisfactorily. With this wave function, we show that the one-body density matrix $varrho_{1} (r)$ of solid p-${rm H_{2}}$ possesses off-diagonal long range order, with a condensate fraction that increases sizably in the negative pressure regime.
