Related papers: Surveying an Energy Landscape
The low-energy properties of the two-dimensional Heisenberg model with spin-$\frac{1}{2}$ on a square lattice are investigated on the basis of the local dimer order. The lattice is divided into square blocks consisting of the quartet of…
The emergence of scanning probe and electron beam imaging techniques have allowed quantitative studies of atomic structure and minute details of electronic and vibrational structure on the level of individual atomic units. These microscopic…
Ground state energies and on-site density-density correlations are calculated for the 1-D Hubbard model using a linear combination of the Hubbard projection operators. The mean-field coefficients in the resulting linearized Equations of…
Using Wang-landau algorithm combined with analytic method, the density of states of two dimensional XY model on square lattices of sizes $16\times16$, $24\times24$ and $32\times32$ is accurately calculated. Thermodynamic quantities, such as…
We report large scale determinant Quantum Monte Carlo calculations of the effective bandwidth, momentum distribution, and magnetic correlations of the square lattice fermion Hubbard Hamiltonian at half-filling. The sharp Fermi surface of…
Gauge theories are of paramount importance in our understanding of fundamental constituents of matter and their interactions. However, the complete characterization of their phase diagrams and the full understanding of non-perturbative…
We present Monte Carlo simulations of lattice models of polymers. These simulations are intended to demonstrate the strengths of a powerful new flat histogram algorithm which is obtained by adding microcanonical reweighting techniques to…
Based on the scheme of variational Monte Carlo sampling, we develop an accurate and efficient two-dimensional tensor-network algorithm to simulate quantum lattice models. We find that Monte Carlo sampling shows huge advantages in dealing…
Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the…
We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a…
We investigate the attractive Fermi polaron problem in two dimensions using non-perturbative Monte Carlo simulations. We introduce a new Monte Carlo algorithm called the impurity lattice Monte Carlo method. This algorithm samples the path…
Many enhanced sampling techniques rely on the identification of a number of collective variables that describe all the slow modes of the system. By constructing a bias potential in this reduced space one is then able to sample efficiently…
Particles and fields are standard components in numerical simulations like transport simulations in nuclear physics and have very well understood dynamics. Still, a common problem is the interaction between particles and fields due to their…
Various types of mixed spin two-dimensional Heisenberg networks are investigated by means of Monte Carlo simulations. This study aims at interpreting quantitatively the thermodynamical properties of two-dimensional molecule-based magnets…
We consider the problem of recovering conditional independence relationships between $p$ jointly distributed Hilbertian random elements given $n$ realizations thereof. We operate in the sparse high-dimensional regime, where $n \ll p$ and no…
Long-range interacting systems may exhibit ensemble inequivalence and can possibly attain equilibrium states under completely open conditions, for which energy, volume and number of particles simultaneously fluctuate. Here we consider a…
The accuracy of the energy landscape of silicon systems obtained from various density functional methods, a tight binding scheme and force fields is studied. Quantum Monte Carlo results serve as quasi exact reference values. In addition to…
A method for analytic continuation of imaginary-time correlation functions (here obtained in quantum Monte Carlo simulations) to real-frequency spectral functions is proposed. Stochastically sampling a spectrum parametrized by a large…
We derive a closed-form combinatorial expression for the number of states in canonical systems with discrete energy levels. The expression results from the exact low-temperature power series expansion of the partition function. The approach…
The recent development in the field of 2D magnetic materials urges reliable theoretical methodology for determination of magnetic properties. Among the available methods, ab initio four-state energy mapping based on Density Functional…