Searcharxiv⌕ Search

arXiv subjects

Markus Holzmann

Publications and source records attributed to Markus Holzmann.

At least 73 records · Page 4Linked to original sources

The density of states approach to the sign problem

Approaches to the sign problem based on the density of states have been recently revived by the introduction of the LLR algorithm, which allows us to compute the density of states itself with exponential error reduction. In this work, after a review of the generalities of the method, we show recent results for the Bose gas in four dimensions, focussing on the identification of possible systematic errors and on methods of controlling the bias they can introduce in the calculation.

hep-lat↗

The Landau Hamiltonian with $δ$-potentials supported on curves

The spectral properties of the singularly perturbed self-adjoint Landau Hamiltonian $A_α=(i \nabla + A)^2 + αδ$ in $L^2(R^2)$ with a $δ$-potential supported on a finite $C^{1,1}$-smooth curve $Σ$ are studied. Here $A = \frac{1}{2} B (-x_2, x_1)^\top$ is the vector potential, $B>0$ is the strength of the homogeneous magnetic field, and $α\in L^\infty(Σ)$ is a position-dependent real coefficient modeling the strength of the singular interaction on the curve $Σ$. After a general discussion of the qualitative spectral properties of $A_α$ and its resolvent, one of the main objectives in the present paper is a local spectral analysis of $A_α$ near the Landau levels $B(2q+1)$. Under various conditions on $α$ it is shown that the perturbation smears the Landau levels into eigenvalue clusters, and the accumulation rate of the eigenvalues within these clusters is determined in terms of the capacity of the support of $α$. Furthermore, the use of Landau Hamiltonians with $δ$-perturbations as model operators for more realistic quantum systems is justified by showing that $A_α$ can be approximated in the norm resolvent sense by a family of Landau Hamiltonians with suitably scaled regular potentials.

math.SP↗

Defect-Driven Superfluid Crossover for Two-Dimensional Dipolar Excitons Trapped at Thermodynamic Equilibrium

We study ultra-cold dipolar excitons confined in a 10$μ$m trap of a double GaAs quantum well. Based on the local density approximation, we unveil for the first time the equation of state of excitons at pure thermodynamic equilibrium. In this regime we show that, below a critical temperature of about $1$ Kelvin, a superfluid forms in the inner region of the trap at a local exciton density $n \sim 2-3 \, 10^{10} \text{cm}^{-2}$, encircled by a more dilute and normal component in the outer rim of the trap. Remarkably, this spatial arrangement correlates directly with the concentration of defects in the exciton density which exhibits a sudden decrease at the onset of superfluidity, thus pointing towards an underlying Berezinskii-Kosterlitz-Thouless mechanism.

cond-mat.quant-gas↗

Electron localization properties in high pressure hydrogen at the liquid-liquid phase transition by Coupled Electron-Ion Monte Carlo

We analyze in detail the electronic properties of high pressure hydrogen around the liquid-liquid phase transition based on Coupled Electron-Ion Monte Carlo calculations. Computing the off-diagonal single particle density matrix and the momentum distribution we discuss localization properties of the electrons. The abrupt changes of these distributions indicate a metal to insulator transition occurring together with the structural transition from the atomic to molecular fluid. We further discuss the electron-proton and electron-electron pair correlation functions, which also change abruptly at the transition.

cond-mat.mtrl-sci↗

On Dirac operators with electrostatic δ-shell interactions of critical strength

In this paper we prove that the Dirac operator $A_η$ with an electrostatic $δ$-shell interaction of critical strength $η= \pm 2$ supported on a $C^2$-smooth compact surface $Σ$ is self-adjoint in $L^2(\mathbb{R}^3;\mathbb{C}^4)$, we describe the domain explicitly in terms of traces and jump conditions in $H^{-1/2}(Σ; \mathbb{C}^4)$, and we investigate the spectral properties of $A_η$. While the non-critical interaction strengths $η\not= \pm 2$ have received a lot of attention in the recent past, the critical case $η= \pm 2$ remained open. Our approach is based on abstract techniques in extension theory of symmetric operators, in particular, boundary triples and their Weyl functions.

math.SP↗

Nonlinear Network description for many-body quantum systems in continuous space

We show that the recently introduced iterative backflow renormalization can be interpreted as a general neural network in continuum space with non-linear functions in the hidden units. We use this wave function within Variational Monte Carlo for liquid $^4$He in two and three dimensions, where we typically find a tenfold increase in accuracy over currently used wave functions. Furthermore, subsequent stages of the iteration procedure define a set of increasingly good wave functions, each with its own variational energy and variance of the local energy: extrapolation of these energies to zero variance gives values in close agreement with the exact values. For two dimensional $^4$He, we also show that the iterative backflow wave function can describe both the liquid and the solid phase with the same functional form -a feature shared with the Shadow Wave Function, but now joined by much higher accuracy. We also achieve significant progress for liquid $^3$He in three dimensions, improving previous variational and fixed-node energies for this very challenging fermionic system.

cond-mat.other↗

Local structure in dense hydrogen at the liquid-liquid phase transition by Coupled Electron-Ion Monte Carlo

We present a study of the local structure of high pressure hydrogen around the liquid-liquid transition line based on results from the Coupled Electron-Ion Monte Carlo method. We report results for the Equation of State, for the radial distribution function between protons g(r) and results from a cluster analysis to detect the possible formation of stable molecular ions beyond the transition line, as well as above the critical temperature. We discuss various estimates for the molecular fraction in both phases and show that, although the presence of $H_3^+$ ions is suggested by the form of the g(r) they are not stable against thermal fluctuations.

cond-mat.stat-mech↗

Dirac operators with Lorentz scalar shell interactions

This paper deals with the massive three-dimensional Dirac operator coupled with a Lorentz scalar shell interaction supported on a compact smooth surface. The rigorous definition of the operator involves suitable transmission conditions along the surface. After showing the self-adjointness of the resulting operator we switch to the investigation of its spectral properties, in particular, to the existence and non-existence of eigenvalues. In the case of an attractive coupling, we study the eigenvalue asymptotics as the mass becomes large and show that the behavior of the individual eigenvalues and their total number are governed by an effective Schrödinger operator on the boundary with an external Yang-Mills potential and a curvature-induced potential.

math.SP↗

Effective mass of quasiparticles from thermodynamics

We discuss the potential advantages of calculating the effective mass of quasiparticles in the interacting electron liquid from the low-temperature free energy vis-a-vis the conventional approach, in which the effective mass is obtained from approximate calculations of the self-energy, or from a quantum Monte Carlo evaluation of the energy of a variational "quasiparticle wave function". While raw quantum Monte Carlo data are presently too sparse to allow for an accurate determination of the effective mass, the values estimated by this method are numerically close to the ones obtained in previous calculations using diagrammatic many-body theory. In contrast to this, a recently published parametrization of quantum Monte Carlo data for the free energy of the homogeneous electron liquid yields effective masses that considerably deviate from previous calculations and even change sign for low densities, reflecting an unphysical negative entropy. We suggest that this anomaly is related to the treatment of the exchange energy at finite temperature.

cond-mat.str-el↗

Unitary dynamics of strongly-interacting Bose gases with time-dependent variational Monte Carlo in continuous space

We introduce time-dependent variational Monte Carlo for continuous-space Bose gases. Our approach is based on the systematic expansion of the many-body wave-function in terms of multi-body correlations and is essentially exact up to adaptive truncation. The method is benchmarked by comparison to exact Bethe-ansatz or existing numerical results for the integrable Lieb-Liniger model. We first show that the many-body wave-function achieves high precision for ground-state properties, including energy and first-order as well as second-order correlation functions. Then, we study the out-of-equilibrium, unitary dynamics induced by a quantum quench in the interaction strength. Our time-dependent variational Monte Carlo results are benchmarked by comparison to exact Bethe ansatz results available for a small number of particles, and also compared to quench action results available for non-interacting initial states. Moreover, our approach allows us to study large particle numbers and general quench protocols, previously inaccessible beyond the mean-field level. Our results suggest that it is possible to find correlated initial states for which the long-term dynamics of local density fluctuations is close to the predictions of a simple Boltzmann ensemble.

cond-mat.quant-gas↗

Two-Dimensional Hydrogen Structure at Ultra-High Pressure

We introduce a novel method that combines the accuracy of Quantum Monte Carlo simulations with ab-initio Molecular Dynamics, in the spirit of Car-Parrinello. This method is then used for investigating the structure of a two-dimensional layer of hydrogen at $T=0~\text{K}$ and high densities. We find that metallization is to be expected at $r_s \approx 1.1$, with an estimated pressure of $1.0\cdot10^3~a_0~\text{GPa}$, changing from a graphene molecular lattice to an atomic phase.

physics.comp-ph↗

Helium atom excitations by the GW and Bethe-Salpeter many-body formalism

Helium atom is the simplest many-body electronic system provided by nature. The exact solution to the Schrödinger equation is known for helium ground and excited states, and represents a workbench for any many-body methodology. Here, we check the ab initio many-body GW approximation and Bethe-Salpeter equation (BSE) against the exact solution for helium. Starting from Hartree-Fock, we show that GW and BSE yield impressively accurate results on excitation energies and oscillator strength, systematically improving time-dependent Hartree-Fock. These findings suggest that the accuracy of BSE and GW approximations is not significantly limited by self-interaction and self-screening problems even in this few electron limit. We further discuss our results in comparison to those obtained by time-dependent density-functional theory.

physics.atom-ph↗

Spectral analysis of photonic crystals made of thin rods

In this paper we address the question how to design photonic crystals that have photonic band gaps around a finite number of given frequencies. In such materials electromagnetic waves with these frequencies can not propagate; this makes them interesting for a large number of applications. We focus on crystals made of periodically ordered thin rods with high contrast dielectric properties. We show that the material parameters can be chosen in such a way that transverse magnetic modes with given frequencies can not propagate in the crystal. At the same time, for any frequency belonging to a predefined range there exists a transverse electric mode that can propagate in the medium. These results are related to the spectral properties of a weighted Laplacian and of an elliptic operator of divergence type both acting in $L^2(\mathbb{R}^2)$. The proofs rely on perturbation theory of linear operators, Floquet-Bloch analysis, and properties of Schroedinger operators with point interactions.

math.SP↗

Finite Temperature Phases of Two Dimensional Spin-Orbit Coupled Bosons

We determine the finite temperature phase diagram of two dimensional bosons with two hyperfine (pseudo-spin) states coupled via Rashba-Dresselhaus spin-orbit interaction using classical field Monte Carlo calculations. For anisotropic spin-orbit coupling, we find a transition to a Berenzinskii-Kosterlitz-Thouless superfluid phase with quasi-long range order. We show that the spin-order of the quasi-condensate is driven by the anisotropy of interparticle interaction, favoring either a homogeneous plane wave state or stripe phase with broken translational symmetry. Both phases show characteristic behavior in the algebraically decaying spin density correlation function. For fully isotropic interparticle interaction, our calculations indicate a fractionalized quasi-condensate where the mean-field degeneracy of plane wave and stripe phase remains robust against critical fluctuations. In the case of fully isotropic spin-orbit coupling, the circular degeneracy of the single particle ground state destroys the algebraic ordered phase in the thermodynamic limit, but a cross-over remains for finite size systems.

cond-mat.quant-gas↗

Quasi-long-range order in trapped two-dimensional Bose gases

We study the fate of algebraic decay of correlations in a harmonically trapped two-dimensional degenerate Bose gas. The analysis is inspired by recent experiments on ultracold atoms where power-law correlations have been observed despite the presence of the external potential. We generalize the spin wave description of phase fluctuations to the trapped case and obtain an analytical expression for the one-body density matrix within this approximation. We show that algebraic decay of the central correlation function persists to lengths of about 20% of the Thomas--Fermi radius. We establish that the trap-averaged correlation function decays algebraically with a strictly larger exponent weakly changing with trap size and find indications that the recently observed enhanced scaling exponents receive significant contributions from the normal component of the gas. We discuss radial and angular correlations and propose a local correlation approximation which captures the correlations very well. Our analysis goes beyond the usual local density approximation and the developed summation techniques constitute a powerful tool to investigate correlations in inhomogeneous systems.

cond-mat.quant-gas↗

Confidence and efficiency scaling in Variational Quantum Monte Carlo calculations

Based on the central limit theorem, we discuss the problem of evaluation of the statistical error of Monte Carlo calculations using a time discretized diffusion process. We present a robust and practical method to determine the effective variance of general observables and show how to verify the equilibrium hypothesis by the Kolmogorov-Smirnov test. We then derive scaling laws of the efficiency illustrated by Variational Monte Carlo calculations on the two dimensional electron gas.

physics.comp-ph↗

On the spectral properties of Dirac operators with electrostatic $δ$-shell interactions

In this paper the spectral properties of Dirac operators $A_η$ with electrostatic $δ$-shell interactions of constant strength $η$ supported on compact smooth surfaces in $\mathbb{R}^3$ are studied. Making use of boundary triple techniques a Krein type resolvent formula and a Birman-Schwinger principle are obtained. With the help of these tools some spectral, scattering, and asymptotic properties of $A_η$ are investigated. In particular, it turns out that the discrete spectrum of $A_η$ inside the gap of the essential spectrum is finite, the difference of the third powers of the resolvents of $A_η$ and the free Dirac operator $A_0$ is trace class, and in the nonrelativistic limit $A_η$ converges in the norm resolvent sense to a Schrödinger operator with an electric $δ$-potential of strength $η$.

math.SP↗

On the Fermion Sign Problem in Imaginary-Time Projection Continuum Quantum Monte Carlo with Local Interaction

We use the Shadow Wave Function formalism as a convenient model to study the fermion sign problem affecting all projector Quantum Monte Carlo methods in continuum space. We demonstrate that the efficiency of imaginary time projection algorithms decays exponentially with increasing number of particles and/or imaginary-time propagation. Moreover, we derive an analytical expression that connects the localization of the system with the magnitude of the sign problem, illustrating this prediction through some numerical results. Finally, we discuss the fermion sign problem computational complexity and methods for alleviating its severity.

physics.comp-ph↗