Related papers: High-order Time Expansion Path Integral Ground Sta…
We present an infinite Grassmann time-evolving matrix product operator method for quantum impurity problems, which directly works in the steady state. The method embraces the well-established infinite matrix product state algorithms with…
In this work we introduce the Dual Boson Diagrammatic Monte Carlo technique for strongly interacting electronic systems. This method combines the strength of dynamical mean-filed theory for non-perturbative description of local correlations…
We explore correlated electron states in harmonically confined few-electron quantum dots in an external magnetic field by the path-integral Monte Carlo method for a wide range of the field and the Coulomb interaction strength. Using the…
The 'Neumann-Ulam' Monte-Carlo sampling is described for the calculation of a matrix inversion or a Green function in case of Hubbard-Stratonovich (HS-)transformed coherent state path integrals. We illustrate how to circumvent direct…
In this and subsequent paper arXiv:1011.5185 we develop a recursive approach for calculating the short-time expansion of the propagator for a general quantum system in a time-dependent potential to orders that have not yet been accessible…
We present a simple and efficient method to optimize within energy minimization the determinantal component of the many-body wave functions commonly used in quantum Monte Carlo calculations. The approach obtains the optimal wave function as…
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…
Quantization of electrodynamics in curved space-time in the Lorenz gauge and with arbitrary gauge parameter makes it necessary to study Green functions of non-minimal operators with variable coefficients. Starting from the integral…
We implement the phaseless auxiliary field quantum Monte Carlo method using the plane-wave based projector augmented wave method and explore the accuracy and the feasibility of applying our implementation to solids. We use a singular value…
Variational quantum algorithms are poised to have significant impact on high-dimensional optimization, with applications in classical combinatorics, quantum chemistry, and condensed matter. Nevertheless, the optimization landscape of these…
A high-order combined interpolation/finite element technique is developed for solving the coupled groundwater-surface water system that governs flows in karst aquifers. In the proposed high-order scheme we approximate the time derivative…
We address the computation of ground-state properties of chemical systems and realistic materials within the auxiliary-field quantum Monte Carlo method. The phase constraint to control the fermion phase problem requires the random walks in…
We discuss the form of the wave-function of a state subjected to a scalar linear potential, paying special attention to quantum tunneling. We analyze the phases acquired by the evolved state and show that some of them have a pure quantum…
We suggest simple modifications of the conditional gradient method for smooth optimization problems, which maintain the basic convergence properties, but reduce the implementation cost of each iteration essentially. Namely, we propose the…
The goal of partial-order methods is to accelerate the exploration of concurrent systems by examining only a representative subset of all possible runs. The stateful approach builds a transition system with representative runs, while the…
We introduce a simple protocol for measuring properties of a gapped ground state with essentially no disturbance to the state. The required Hamiltonian evolution time scales inversely with the spectral gap and target precision (up to…
The evaluation of elastodynamic Green's functions across numerous source-receiver locations, frequencies, and material properties, particularly in the context of parametric studies or boundary element computations, is computationally…
We develop a new projected wave function approach which is based on projection operators in the form of matrix-product operators (MPOs). Our approach allows to variationally improve the short range entanglement of a given trial wave…
A new method of estimating higher order perturbative coefficients is discussed. It exploits the rapid, asymptotic growth of perturbative coefficients and the information on the singularities in the complex Borel plane. A comparison with…
The semiconducting two-dimensional transition metal dichalcogenides MX$_{2}$ show an abundance of one-dimensional metallic edges and grain boundaries. Standard techniques for calculating edge states typically model nanoribbons, and require…