arXiv subjects

M. L. Wall

Publications and source records attributed to M. L. Wall.

22 records · Page 2Linked to original sources

arXiv2011

The ALPS project release 2.0: Open source software for strongly correlated systems

We present release 2.0 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quantum magnets, lattice bosons, and strongly correlated fermion systems. The code development is centered on common XML and HDF5 data formats, libraries to simplify and speed up code development, common evaluation and plotting tools, and simulation programs. The programs enable non-experts to start carrying out serial or parallel numerical simulations by providing basic implementations of the important algorithms for quantum lattice models: classical and quantum Monte Carlo (QMC) using non-local updates, extended ensemble simulations, exact and full diagonalization (ED), the density matrix renormalization group (DMRG) both in a static version and a dynamic time-evolving block decimation (TEBD) code, and quantum Monte Carlo solvers for dynamical mean field theory (DMFT). The ALPS libraries provide a powerful framework for programers to develop their own applications, which, for instance, greatly simplify the steps of porting a serial code onto a parallel, distributed memory machine. Major changes in release 2.0 include the use of HDF5 for binary data, evaluation tools in Python, support for the Windows operating system, the use of CMake as build system and binary installation packages for Mac OS X and Windows, and integration with the VisTrails workflow provenance tool. The software is available from our web server at http://alps.comp-phys.org/.

cond-mat.str-el↗

arXiv2010

The Hyperfine Molecular Hubbard Hamiltonian

An ultracold gas of heteronuclear alkali dimer molecules with hyperfine structure loaded into a one-dimensional optical lattice is investigated. The \emph{Hyperfine Molecular Hubbard Hamiltonian} (HMHH), an effective low-energy lattice Hamiltonian, is derived from first principles. The large permanent electric dipole moment of these molecules gives rise to long range dipole-dipole forces in a DC electric field and allows for transitions between rotational states in an AC microwave field. Additionally, a strong magnetic field can be used to control the hyperfine degrees of freedom independently of the rotational degrees of freedom. By tuning the angle between the DC electric and magnetic fields and the strength of the AC field it is possible to control the number of internal states involved in the dynamics as well as the degree of correlation between the spatial and internal degrees of freedom. The HMHH's unique features have direct experimental consequences such as quantum dephasing, tunable complexity, and the dependence of the phase diagram on the molecular state.

cond-mat.quant-gas↗

arXiv2009

Mesoscopic Effects in Quantum Phases of Ultracold Quantum Gases in Optical Lattices

We present a wide array of quantum measures on numerical solutions of 1D Bose- and Fermi-Hubbard Hamiltonians for finite-size systems with open boundary conditions. Finite size effects are highly relevant to ultracold quantum gases in optical lattices, where an external trap creates smaller effective regions in the form of the celebrated "wedding cake" structure and the local density approximation is often not applicable. Specifically, for the Bose-Hubbard Hamiltonian we calculate number, quantum depletion, local von-Neumann entropy, generalized entanglement or Q-measure, fidelity, and fidelity susceptibility; for the Fermi-Hubbard Hamiltonian we also calculate the pairing correlations, magnetization, charge-density correlations, and antiferromagnetic structure factor. Our numerical method is imaginary time propagation via time-evolving block decimation. As part of our study we provide a careful comparison of canonical vs. grand canonical ensembles and Gutzwiller vs. entangled simulations. The most striking effect of finite size occurs for bosons: we observe a strong blurring of the tips of the Mott lobes accompanied by higher depletion, and show how the location of the first Mott lobe tip approaches the thermodynamic value as a function of system size.

cond-mat.quant-gas↗

arXiv2008

Emergent Time Scale in Entangled Quantum Dynamics of Ultracold Molecules in Optical Lattices

We derive a novel lattice Hamiltonian, the \emph{Molecular Hubbard Hamiltonian} (MHH), which describes the essential many body physics of closed-shell ultracold heteronuclear molecules in their absolute ground state in a quasi-one-dimensional optical lattice. The MHH is explicitly time-dependent, making a dynamic generalization of the concept of quantum phase transitions necessary. Using the Time-Evolving Block Decimation (TEBD) algorithm to study entangled dynamics, we demonstrate that, in the case of hard core bosonic molecules at half filling, the MHH exhibits an emergent time scale over which spatial entanglement grows, crystalline order appears, and oscillations between rotational states self-damp into an asymptotic superposition. We show that this time scale is a non-monotonic function of the physical parameters describing the lattice. We also point out that experimental mapping of the static phase boundaries of the MHH can be used to measure the molecular polarizability tensor.

cond-mat.other↗