Optimization of Gutzwiller Wavefunctions in Quantum Monte Carlo

Gutzwiller functions are popular variational wavefunctions for correlated electrons in Hubbard models. Following the variational principle, we are interested in the Gutzwiller parameters that minimize e.g. the expectation value of the energy. Rewriting the expectation value as a rational function in the Gutzwiller parameters, we find a very efficient way for performing that minimization. The method can be used to optimize general Gutzwiller-type wavefunctions both, in variational and in fixed-node diffusion Monte Carlo.Comment: 9 pages RevTeX with 10 eps figure

Direct magneto-optical compression of an effusive atomic beam for high-resolution focused ion beam application

An atomic rubidium beam formed in a 70 mm long two-dimensional magneto-optical trap (2D MOT), directly loaded from a collimated Knudsen source, is analyzed using laser-induced fluorescence. The longitudinal velocity distribution, the transverse temperature and the flux of the atomic beam are reported. The equivalent transverse reduced brightness of an ion beam with similar properties as the atomic beam is calculated because the beam is developed to be photoionized and applied in a focused ion beam. In a single two-dimensional magneto-optical trapping step an equivalent transverse reduced brightness of $(1.0\substack{+0.8-0.4})$ $\times 10^6$ A/(m$^2$ sr eV) was achieved with a beam flux equivalent to $(0.6\substack{+0.3-0.2})$ nA. The temperature of the beam is further reduced with an optical molasses after the 2D MOT. This increased the equivalent brightness to $(6\substack{+5-2})$$\times 10^6$ A/(m$^2$ sr eV). For currents below 10 pA, for which disorder-induced heating can be suppressed, this number is also a good estimate of the ion beam brightness that can be expected. Such an ion beam brightness would be a six times improvement over the liquid metal ion source and could improve the resolution in focused ion beam nanofabrication.Comment: 10 pages, 8 figures, 1 tabl

Helicity Modulus and Effective Hopping in the Two-Dimensional Hubbard Model Using Slave-Boson Methods

The slave-boson mean-field method is used to study the two-dimensional Hubbard model. A magnetic phase diagram allowing for paramagnetism, weak- and strong ferromagnetism and antiferromagnetism, including all continuous and first-order transitions, is constructed and compared to the corresponding phase diagram using the Hartree-Fock approximation (HFA). Magnetically ordered regions are reduced by a factor of about 3 along both the $t/U$ and density axes compared to the HFA. Using the spin-rotation invariant formulation of the slave-boson method the helicity modulus is computed and for half-filling is found to practically coincide with that found using variational Monte Carlo calculations using the Gutzwiller wave function. Off half-filling the results can be used to compare with Quantum Monte Carlo calculations of the effective hopping parameter. Contrary to the case of half-filling, the slave-boson approach is seen to greatly improve the results of the HFA when off half-filling. (Submitted to: Journal of Physics: Condensed Matter)Comment: 27 pages, LaTeX2e, 7 figures available upon request, INLO-PUB-10/9

Performance predictions for a laser intensified thermal beam for use in high resolution Focused Ion Beam instruments

Photo-ionization of a laser-cooled and compressed atomic beam from a high-flux thermal source can be used to create a high-brightness ion beam for use in Focus Ion Beam (FIB) instruments. Here we show using calculations and Doppler cooling simulations that an atomic rubidium beam with a brightness of $2.1 \times 10^7 A/(m^2\,sr\,eV)$ at a current of 1 nA can be created using a compact 5 cm long 2D magneto-optical compressor which is more than an order of magnitude better than the current state of the art Liquid Metal Ion Source.Comment: 8 pages, 7 figures submitted to: Phys. Rev.

From antiferromagnetism to d-wave superconductivity in the 2D t-J model

We have found that the two dimensional t-J model, for the physical parameter range J/t = 0.4 reproduces the main experimental qualitative features of High-Tc copper oxide superconductors: d-wave superconducting correlations are strongly enhanced upon small doping and clear evidence of off diagonal long range order is found at the optimal doping \delta ~ 0.15. On the other hand antiferromagnetic long range order, clearly present at zero hole doping, is suppressed at small hole density with clear absence of antiferromagnetism at \delta >~ 0.1.Comment: 4 pages, 5 figure

Green's Function Monte Carlo for Lattice Fermions: Application to the t-J Model

We develop a general numerical method to study the zero temperature properties of strongly correlated electron models on large lattices. The technique, which resembles Green's Function Monte Carlo, projects the ground state component from a trial wave function with no approximations. We use this method to determine the phase diagram of the two-dimensional t-J model, using the Maxwell construction to investigate electronic phase separation. The shell effects of fermions on finite-sized periodic lattices are minimized by keeping the number of electrons fixed at a closed-shell configuration and varying the size of the lattice. Results obtained for various electron numbers corresponding to different closed-shells indicate that the finite-size effects in our calculation are small. For any value of interaction strength, we find that there is always a value of the electron density above which the system can lower its energy by forming a two-component phase separated state. Our results are compared with other calculations on the t-J model. We find that the most accurate results are consistent with phase separation at all interaction strengths.Comment: 22 pages, 22 figure

Using a Smartphone App and Coaching Group Sessions to Promote Residents' Reflection in the Workplace

Item does not contain fulltextPROBLEM: Reflecting on workplace-based experiences is necessary for professional development. However, residents need support to raise their awareness of valuable moments for learning and to thoughtfully analyze those learning moments afterwards. APPROACH: From October to December 2012, the authors held a multidisciplinary six-week postgraduate training module focused on general competencies. Residents were randomly assigned to one of four conditions with varying degrees of reflection support; they were offered (1) a smartphone app, (2) coaching group sessions, (3) a combination of both, or (4) neither type of support. The app allowed participants to capture in real time learning moments as a text note, audio recording, picture, or video. Coaching sessions held every two weeks aimed to deepen participants' reflection on captured learning moments. Questionnaire responses and reflection data were compared between conditions to assess the effects of the app and coaching sessions on intensity and frequency of reflection. OUTCOMES: Sixty-four residents participated. App users reflected more often, captured more learning moments, and reported greater learning progress than nonapp users. Participants who attended coaching sessions were more alert to learning moments and pursued more follow-up learning activities to improve on the general competencies. Those who received both types of support were most alert to these learning moments. NEXT STEPS: A simple mobile app for capturing learning moments shows promise as a tool to support workplace-based learning, especially when combined with coaching sessions. Future research should evaluate these tools on a broader scale and in conjunction with residents' and students' personal digital portfolios

An Improved Upper Bound for the Ground State Energy of Fermion Lattice Models

We present an improved upper bound for the ground state energy of lattice fermion models with sign problem. The bound can be computed by numerical simulation of a recently proposed family of deformed Hamiltonians with no sign problem. For one dimensional models, we expect the bound to be particularly effective and practical extrapolation procedures are discussed. In particular, in a model of spinless interacting fermions and in the Hubbard model at various filling and Coulomb repulsion we show how such techniques can estimate ground state energies and correlation function with great accuracy.Comment: 5 pages, 5 figures; to appear in Physical Review

Issues and Observations on Applications of the Constrained-Path Monte Carlo Method to Many-Fermion Systems

We report several important observations that underscore the distinctions between the constrained-path Monte Carlo method and the continuum and lattice versions of the fixed-node method. The main distinctions stem from the differences in the state space in which the random walk occurs and in the manner in which the random walkers are constrained. One consequence is that in the constrained-path method the so-called mixed estimator for the energy is not an upper bound to the exact energy, as previously claimed. Several ways of producing an energy upper bound are given, and relevant methodological aspects are illustrated with simple examples.Comment: 28 pages, REVTEX, 5 ps figure

Green Function Monte Carlo with Stochastic Reconfiguration: an effective remedy for the sign problem disease

A recent technique, proposed to alleviate the ``sign problem disease'', is discussed in details. As well known the ground state of a given Hamiltonian $H$ can be obtained by applying the imaginary time propagator $e^{-H \tau}$ to a given trial state $\psi_T$ for large imaginary time $\tau$ and sampling statistically the propagated state $\psi_{\tau} = e^{-H \tau} \psi_T$. However the so called ``sign problem'' may appear in the simulation and such statistical propagation would be practically impossible without employing some approximation such as the well known ``fixed node'' approximation (FN). This method allows to improve the FN dynamic with a systematic correction scheme. This is possible by the simple requirement that, after a short imaginary time propagation via the FN dynamic, a number $p$ of correlation functions can be further constrained to be {\em exact} by small perturbation of the FN propagated state, which is free of the sign problem. By iterating this scheme the Monte Carlo average sign, which is almost zero when there is sign problem, remains stable and finite even for large $\tau$. The proposed algorithm is tested against the exact diagonalization results available on finite lattice. It is also shown in few test cases that the dependence of the results upon the few parameters entering the stochastic technique can be very easily controlled, unless for exceptional cases.Comment: 44 pages, RevTeX + 5 encaplulated postscript figure