Related papers: Chebyshev pseudosite matrix product state approach…
It is shown how to construct Keldysh diagram technique for pseudo - particle approach to the Hubbard model. We propose self consistent equations for pseudo particle and electron Green functions in Keldysh diagram technique. Nonlocal effects…
The multiple scattering theory (MST) is a Green's function method that has been widely used in electronic structure calculations for crystalline disordered systems. The key property of the MST method is the scattering path matrix (SPM) that…
Density Functional Tight Binding (DFTB) is an attractive method for accelerated quantum simulations of condensed matter due to its enhanced computational efficiency over standard Density Functional Theory approaches. However, DFTB models…
Correlated electron states are at the root of many important phenomena including unconventional superconductivity (USC), where electron-pairing arises from repulsive interactions. Computing the properties of correlated electrons, such as…
We propose the sparse modeling approach for quasiclassical theory of superconductivity, which reduces the computational cost of solving the gap equations. The recently proposed sparse modeling approach is based on the fact that the Green's…
Encoding classical data in a quantum state is a key prerequisite of many quantum algorithms. Recently matrix product state (MPS) methods emerged as the most promising approach for constructing shallow quantum circuits approximating input…
Chebyshev Filtered Subspace Iteration (ChFSI) is widely used for computing a small subset of extremal eigenpairs from large matrices, particularly when the eigenpairs must be computed repeatedly as the system matrix evolves within an outer…
The analytic gradient theory for both iterative and non-iterative coupled-cluster approximations that include connected quadruple excitations is presented. These methods include, in particular, CCSDT(Q), which is an analog of the well-known…
Projected entangled-pair states (PEPS) have become a powerful tool for studying quantum many-body systems in the condensed matter and quantum materials context, particularly with advances in variational energy optimization methods. A key…
Tensor networks are a powerful tool to simulate a variety of different physical models, including those that suffer from the sign problem in Monte Carlo simulations. The Hubbard model on the honeycomb lattice with non-zero chemical…
We quantify the representational power of matrix product states (MPS) for entangled qubit systems by giving polynomial expressions in a pure quantum state's amplitudes which hold if and only if the state is a translation invariant matrix…
As the first component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for isolated…
Kinetic simulations of collisionless (or weakly collisional) plasmas using the Vlasov equation are often infeasible due to high resolution requirements and the exponential scaling of computational cost with respect to dimension. Recently,…
The experimental realisation of large scale many-body systems has seen immense progress in recent years, rendering full tomography tools for state identification inefficient, especially for continuous systems. In order to work with these…
We present a matrix product state (MPS) algorithm to approximate ground states of translationally invariant systems with periodic boundary conditions. For a fixed value of the bond dimension D of the MPS, we discuss how to minimize the…
Cluster perturbation theory is a technique for calculating the spectral weight of Hubbard models of strongly correlated electrons, which combines exact diagonalizations on small clusters with strong-coupling perturbation theory at leading…
Solving the Kohn-Sham eigenvalue problem constitutes the most computationally expensive part in self-consistent density functional theory (DFT) calculations. In a previous paper, we have proposed a nonlinear Chebyshev-filtered subspace…
Using truncated conformal field theory (CFT), we present the formalism necessary to obtain exact matrix product state (MPS) representations for any fractional quantum hall model state which can be written as an expectation value of primary…
We present an approach to solving the ground state of Fermi systems that contain spin or other discrete degrees of freedom in addition to continuous coordinates. The approach combines a Markov chain Monte Carlo sampling for energy…
Approximating adequate number of clusters in multidimensional data is an open area of research, given a level of compromise made on the quality of acceptable results. The manuscript addresses the issue by formulating a transductive…