arXiv subjects

J. Casulleras

Publications and source records attributed to J. Casulleras.

At least 37 records · Page 2Linked to original sources

arXiv2004

Quantum Monte Carlo simulation of a two-dimensional Bose gas

The equation of state of a homogeneous two-dimensional Bose gas is calculated using quantum Monte Carlo methods. The low-density universal behavior is investigated using different interatomic model potentials, both finite-ranged and strictly repulsive and zero-ranged supporting a bound state. The condensate fraction and the pair distribution function are calculated as a function of the gas parameter, ranging from the dilute to the strongly correlated regime. In the case of the zero-range pseudopotential we discuss the stability of the gas-like state for large values of the two-dimensional scattering length, and we calculate the critical density where the system becomes unstable against cluster formation.

cond-mat.other↗

arXiv2004

Equation of state of a Fermi gas in the BEC-BCS crossover: a quantum Monte Carlo study

We calculate the equation of state of a two-component Fermi gas with attractive short-range interspecies interactions using the fixed-node diffusion Monte Carlo method. The interaction strength is varied over a wide range by tuning the value $a$ of the s-wave scattering length of the two-body potential. For $a>0$ and $a$ smaller than the inverse Fermi wavevector our results show a molecular regime with repulsive interactions well described by the dimer-dimer scattering length $a_m=0.6 a$. The pair correlation functions of parallel and opposite spins are also discussed as a function of the interaction strength.

cond-mat.soft↗

arXiv2004

Beyond Tonks-Girardeau: strongly correlated regime in quasi-one-dimensional Bose gases

We consider a homogeneous 1D Bose gas with contact interactions and large attractive coupling constant. This system can be realized in tight waveguides by exploiting a confinement induced resonance of the effective 1D scattering amplitude. By using a variational {\it ansatz} for the many-body wavefunction, we show that for small densities the gas-like state is stable and the corresponding equation of state is well described by a gas of hard rods. By calculating the compressibility of the system, we provide an estimate of the critical density at which the gas-like state becomes unstable against cluster formation. Within the hard-rod model we calculate the one-body density matrix and the static structure factor of the gas. The results show that in this regime the system is more strongly correlated than a Tonks-Girardeau gas. The frequency of the lowest breathing mode for harmonically trapped systems is also discussed as a function of the interaction strength.

cond-mat.soft↗

arXiv2004

Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo

Improvements beyond the primitive approximation in the path integral Monte Carlo method are explored both in a model problem and in real systems. Two different strategies are studied: the Richardson extrapolation on top of the path integral Monte Carlo data and the Takahashi-Imada action. The Richardson extrapolation, mainly combined with the primitive action, always reduces the number-of-beads dependence, helps in determining the approach to the dominant power law behavior, and all without additional computational cost. The Takahashi-Imada action has been tested in two hard-core interacting quantum liquids at low temperature. The results obtained show that the fourth-order behavior near the asymptote is conserved, and that the use of this improved action reduces the computing time with respect to the primitive approximation.

cond-mat.stat-mech↗

arXiv2004

High momentum response of liquid 3He

A final-state-effects formalism suitable to analyze the high-momentum response of Fermi liquids is presented and used to study the dynamic structure function of liquid $^3$He. The theory, developed as a natural extension of the Gersch-Rodriguez formalism, incorporates the Fermi statistics explicitely through a new additive term which depends on the semi-diagonal two-body density matrix. The use of a realistic momentum distribution, calculated using the diffusion Monte Carlo method, and the inclusion of this additive correction allows for a good agreement with available deep-inelastic neutron scattering data.

cond-mat.stat-mech↗

arXiv2003

The effective mass of two--dimensional 3He

We use structural information from diffusion Monte Carlo calculations for two--dimensional 3He to calculate the effective mass. Static effective interactions are constructed from the density-- and spin structure functions using sumrules. We find that both spin-- and density-- fluctuations contribute about equally to the effective mass. Our results show, in agreement with recent experiments, a flattening of the single--particle self--energy with increasing density, which eventually leads to a divergent effective mass.

cond-mat.stat-mech↗

arXiv2003

H2 in the interstitial channels of nanotube bundles

The equation of state of H2 adsorbed in the interstitial channels of a carbon nanotube bundle has been calculated using the diffusion Monte Carlo method. The possibility of a lattice dilation, induced by H2 adsorption, has been analyzed by modeling the cohesion energy of the bundle. The influence of factors like the interatomic potentials, the nanotube radius and the geometry of the channel on the bundle swelling is systematically analyzed. The most critical input is proved to be the C-H2 potential. Using the same model than in planar graphite, which is expected to be also accurate in nanotubes, the dilation is observed to be smaller than in previous estimations or even inexistent. H2 is highly unidimensional near the equilibrium density, the radial degree of freedom appearing progressively at higher densities.

cond-mat↗

arXiv2002

Zero-temperature equation of state of two-dimensional 3He

The equation of state of two-dimensional $^3$He at zero temperature has been calculated using the diffusion Monte Carlo method. By means of a combination of the fixed-node and released-node techniques it is shown that backflow correlations provide a very accurate equation of state. The results prove unambiguously the non-self-bound character of two-dimensional $^3$He due to its Fermi statistics. We present solid evidence that the gas phase, predicted for the two-dimensional system, can be extrapolated to the case of $^3$He adsorbed on a strong substrate like graphite.

cond-mat.stat-mech↗

arXiv2001

Quadratic diffusion Monte Carlo and pure estimators for atoms

The implementation and reliability of a quadratic diffusion Monte Carlo method for the study of ground-state properties of atoms are discussed. We show in the simple yet non-trivial calculation of the binding energy of the Li atom that the method presented is effectively second-order in the time step. The fulfilment of the expected quadratic behavior relies on some basic requirements of the trial wave function used for importance sampling, in the context of the fixed-node approximation. Expectation values of radial operators are calculated by means of a pure estimation based on the forward walking methodology. It is shown that accurate results without extrapolation errors can be obtained with a pure algorithm that can be easily implemented in any previous diffusion Monte Carlo program.

cond-mat↗

arXiv2001

Superfluidity vs Bose-Einstein condensation in a Bose gas with disorder

We investigate the phenomenon of Bose-Einstein condensation and superfluidity in a Bose gas at zero temperature with disorder. By using the Diffusion Monte-Carlo method we calculate the superfluid and the condensate fraction of the system as a function of density and strength of disorder. In the regime of weak disorder we find agreement with the analytical results obtained within the Bogoliubov model. For strong disorder the system enters an unusual regime where the superfluid fraction is smaller than the condensate fraction.

cond-mat↗

arXiv2001

Isotopic effects of hydrogen adsorption in carbon nanotubes

We present diffusion Monte Carlo calculations of D$_2$ adsorbed inside a narrow carbon nanotube. The 1D D$_2$ equation of state is reported, and the one-dimensional character of the adsorbed D$_2$ is analyzed. The isotopic dependence of the constitutive properties of the quantum fluid are studied by comparing D$_2$ and H$_2$. Quantum effects due to their different masses are observed both in the energetic and the structural properties. The influence of the interatomic potential in one-dimensional systems is also studied by comparing the properties of D$_2$ and $^4$He which have nearly the same mass but a sizeably different potential. The physics of molecular hydrogen adsorbed in the interstitial channels of a bundle of nanotubes is analyzed by means of both a diffusion Monte Carlo calculation and an approximate mean field method.

cond-mat.stat-mech↗

arXiv2000

Zero-temperature equation of state of quasi-one dimensional H2

We have studied molecular hydrogen in a pure 1D geometry and inside a narrow carbon nanotube by means of the diffusion Monte Carlo method. The one-dimensionality of H2 in the nanotube is well maintained in a large density range, this system being closer to an ideal 1D fluid than liquid 4He in the same setup. H2 shares with 4He the existence of a stable liquid phase and a quasi-continuous liquid-solid transition at very high linear densities.

cond-mat↗

arXiv1999

Quasi one dimensional $^4$He inside carbon nanotubes

We report results of diffusion Monte Carlo calculations for both $^4$He absorbed in a narrow single walled carbon nanotube (R = 3.42 Å) and strictly one dimensional $^4$He. Inside the tube, the binding energy of liquid $^4$He is approximately three times larger than on planar graphite. At low linear densities, $^4$He in a nanotube is an experimental realization of a one-dimensional quantum fluid. However, when the density increases the structural and energetic properties of both systems differ. At high density, a quasi-continuous liquid-solid phase transition is observed in both cases.

cond-mat.stat-mech↗

arXiv1999

Finite H2 concentrations in superfluid 4He

We have studied the solubility of molecular hydrogen in bulk liquid $^4$He at zero temperature using the diffusion Monte Carlo method and realistic interatomic potentials between the different species of the mixture. Around the $^4$He equilibrium density, the H_2 molecules clusterize in liquid-like drops blocking the existence of a uniform dilution. On the contrary, at higher densities the cluster formation is less feasible and metastable dilute solutions may exist.

cond-mat.stat-mech↗

arXiv1999

Ground state of a homogeneous Bose gas: a diffusion Monte Carlo calculation

We use a diffusion Monte Carlo method to calculate the lowest energy state of a uniform gas of bosons interacting through different model potentials, both strictly repulsive and with an attractive well. We explicitly verify that at low density the energy per particle follows a universal behavior fixed by the gas parameter na^3. In the regime of densities typical for experiments in trapped Bose-condensed gases, the corrections to the mean-field energies greatly exceed the differences due to the details of the potential.

cond-mat↗

arXiv1998

A Quantum Monte Carlo Study of Static Properties of One 3He Atom in Superfluid 4He

The local environment and the energetic properties of one $^3$He atom solved in bulk superfluid $^4$He are studied by means of the diffusion Monte Carlo method. The chemical potential of the $^3$He impurity is calculated with a generalized reweighting method which allows for a reliable estimation of this quantity. Results for the chemical potential, radial distribution and structure functions, volume-excess parameter, and effective mass are given for several pressures and compared with available experimental data. An overall agreement with experiment is obtained except for the kinetic energy of the $^3$He atom which, in accordance with previous theoretical estimations, appears to be considerably larger than determinations from deep-inelastic neutron scattering.

cond-mat.stat-mech↗

arXiv1996

Microscopic calculation of the phonon-roton branch in superfluid $^4$He

Diffusion Monte Carlo results for the phonon-roton excitation branch in bulk liquid $^4$He at zero temperature are presented. The sign problem associated to the excited wave function has been dealt both with the fixed-node approximation and the released-node technique. The upper bounds provided by the fixed-node approximation are shown to become exact when using the released-node method. An excellent agreement with experimental data is achieved both at the equilibrium and near the freezing densities.

cond-mat↗

arXiv1996

Vortex excitation in superfluid 4He: A Diffusion Monte Carlo study

We present a diffusion Monte Carlo study of a single vortex in two-dimensional superfluid liquid $^4$He within the fixed node approximation. We use both the Feynman phase and an improved phase which includes backflow correlations to model the nodal surface of the vortex wavefunction. Results for the particle density, core radius and excitation energies are presented.

cond-mat↗