Ab Initio Treatments of the Ising Model in a Transverse Field

In this article, new results are presented for the zero-temperature ground-state properties of the spin-half transverse Ising model on various lattices using three different approximate techniques. These are, respectively, the coupled cluster method, the correlated basis function method, and the variational quantum Monte Carlo method. The methods, at different levels of approximation, are used to study the ground-state properties of these systems, and the results are found to be in excellent agreement both with each other and with results of exact calculations for the linear chain and results of exact cumulant series expansions for lattices of higher spatial dimension. The different techniques used are compared and contrasted in the light of these results, and the constructions of the approximate ground-state wave functions are especially discussed.Comment: 28 Pages, 4 Figures, 1 Tabl

Number--conserving model for boson pairing

An independent pair ansatz is developed for the many body wavefunction of dilute Bose systems. The pair correlation is optimized by minimizing the expectation value of the full hamiltonian (rather than the truncated Bogoliubov one) providing a rigorous energy upper bound. In contrast with the Jastrow model, hypernetted chain theory provides closed-form exactly solvable equations for the optimized pair correlation. The model involves both condensate and coherent pairing with number conservation and kinetic energy sum rules satisfied exactly and the compressibility sum rule obeyed at low density. We compute, for bulk boson matter at a given density and zero temperature, (i) the two--body distribution function, (ii) the energy per particle, (iii) the sound velocity, (iv) the chemical potential, (v) the momentum distribution and its condensate fraction and (vi) the pairing function, which quantifies the ODLRO resulting from the structural properties of the two--particle density matrix. The connections with the low--density expansion and Bogoliubov theory are analyzed at different density values, including the density and scattering length regime of interest of trapped-atoms Bose--Einstein condensates. Comparison with the available Diffusion Monte Carlo results is also made.Comment: 21 pages, 12 figure

Final state effects on superfluid 4^{\bf 4}He in the deep inelastic regime

A study of Final State Effects (FSE) on the dynamic structure function of superfluid $^4$He in the Gersch--Rodriguez formalism is presented. The main ingredients needed in the calculation are the momentum distribution and the semidiagonal two--body density matrix. The influence of these ground state quantities on the FSE is analyzed. A variational form of $\rho_2$ is used, even though simpler forms turn out to give accurate results if properly chosen. Comparison to the experimental response at high momentum transfer is performed. The predicted response is quite sensitive to slight variations on the value of the condensate fraction, the best agreement with experiment being obtained with $n_0=0.082$. Sum rules of the FSE broadening function are also derived and commented. Finally, it is shown that Gersch--Rodriguez theory produces results as accurate as those coming from other more recent FSE theories.Comment: 20 pages, RevTex 3.0, 11 figures available upon request, to be appear in Phys. Rev.

Ammonia Decomposition in the Process Chain for a Renewable Hydrogen Supply

This review article deals with the challenge to identify catalyst materials from literature studies for the ammonia decomposition reaction with potential for application in large-scale industrial processes. On the one hand, the requirements on the catalyst are quite demanding. Of central importance are the conditions for the primary reaction that have to be met by the catalyst. Likewise, the catalytic performance, i.e., an ideally quantitative conversion, and a high lifetime are critical as well as the consideration of requirements on the product properties in terms of pressure or by-products for potential follow-up processes, in this case synthesis gas applications. On the other hand, the evaluation of the multitude of literature studies poses difficulties due to significant varieties in catalytic testing protocols

Phase transition in the transverse Ising model using the extended coupled-cluster method

The phase transition present in the linear-chain and square-lattice cases of the transverse Ising model is examined. The extended coupled cluster method (ECCM) can describe both sides of the phase transition with a unified approach. The correlation length and the excitation energy are determined. We demonstrate the ability of the ECCM to use both the weak- and the strong-coupling starting state in a unified approach for the study of critical behavior.Comment: 10 pages, 7 eps-figure

Surface Region of Superfluid Helium as an Inhomogeneous Bose-Condensed Gas

We present arguments that the low density surface region of self-bounded superfluid $^4$He systems is an inhomogeneous dilute Bose gas, with almost all of the atoms occupying the same single-particle state at $T = 0$. Numerical evidence for this complete Bose-Einstein condensation was first given by the many-body variational calculations of $^4$He droplets by Lewart, Pandharipande and Pieper in 1988. We show that the low density surface region can be treated rigorously using a generalized Gross-Pitaevskii equation for the Bose order parameter.Comment: 4 pages, 1 Postscript figur

Quantum phase transitions and thermodynamic properties in highly anisotropic magnets

The systems exhibiting quantum phase transitions (QPT) are investigated within the Ising model in the transverse field and Heisenberg model with easy-plane single-site anisotropy. Near QPT a correspondence between parameters of these models and of quantum phi^4 model is established. A scaling analysis is performed for the ground-state properties. The influence of the external longitudinal magnetic field on the ground-state properties is investigated, and the corresponding magnetic susceptibility is calculated. Finite-temperature properties are considered with the use of the scaling analysis for the effective classical model proposed by Sachdev. Analytical results for the ordering temperature and temperature dependences of the magnetization and energy gap are obtained in the case of a small ground-state moment. The forms of dependences of observable quantities on the bare splitting (or magnetic field) and renormalized splitting turn out to be different. A comparison with numerical calculations and experimental data on systems demonstrating magnetic and structural transitions (e.g., into singlet state) is performed.Comment: 46 pages, RevTeX, 6 figure

Cold Bose gases with large scattering lengths

We calculate the energy and condensate fraction for a dense system of bosons interacting through an attractive short range interaction with positive s-wave scattering length $a$. At high densities, $n>>a^{-3}$, the energy per particle, chemical potential, and square of the sound speed are independent of the scattering length and proportional to $n^{2/3}$, as in Fermi systems.Comment: 4 pages, 3 figure

Momentum distribution of liquid helium

We have obtained the one--body density matrix and the momentum distribution $n(p)$ of liquid $^4$He at $T=3D0^o$K from Diffusion Monte Carlo (DMC) simulations, using trial functions optimized via the Euler Monte Carlo (EMC) method. We find a condensate fraction smaller than in previous calculations. Though we do not explicitly include long--range correlations in our calculations, we get a momentum distribution at long wavelength which is compatible with the presence of long--range correlations in the exact wave function. We have also studied $^3$He, using fixed--node DMC, with nodes and trial functions provided by the EMC. In particular, we analyze the momentum distribution $n(p)$ with respect to the discontinuity $Z$ as well as the singular behavior, at the Fermi surface. We also show that an approximate factorization of the one-body density matrix $\rho(r)\simeq \rho_0(r)\rho_B(r)$ holds, with $\rho_0(r)$ and $\rho_B(r)$ respectively the density matrix of the ideal Fermi gas and the density matrix of a Bose $^3$He.Comment: 10 pages, REVTeX, 12 figure

Description of recent large-qq neutron inclusive scattering data from liquid 4^4He

We report dynamical calculations for large-$q$ structure functions of liquid $^4$He at $T$=1.6 and 2.3 K and compare those with recent MARI data. We extend those calculations far beyond the experimental range q\le 29\Ain in order to study the approach of the response to its asymptotic limit for a system with interactions having a strong short-range repulsion. We find only small deviations from theoretical $1/q$ behavior, valid for smooth $V$. We repeat an extraction by Glyde et al of cumulant coefficients from data. We argue that fits determine the single atom momentum distribution, but express doubt as to the extraction of meaningful Final State Interaction parameters.Comment: 37 pages, 13 postscript fig