相关论文: Matrix Product Approach to Conjugated Polymers

We present an implementation of the relativistic quantum-chemical density matrix renormalization group (DMRG) approach based on a matrix-product formalism. Our approach allows us to optimize matrix product state (MPS) wave functions…

A way of constructing continuous matrix product states (cMPS) for coupled fields is presented here. The cMPS is a variational \emph{ansatz} for the ground state of quantum field theories in one dimension. Our proposed scheme is based in the…

The matrix product state formalism is used to simulate Hamiltonian lattice gauge theories. To this end, we define matrix product state manifolds which are manifestly gauge invariant. As an application, we study 1+1 dimensional one flavour…

Matrix product ansatz (MPA) is a powerful framework for constructing exact steady state weights of one dimensional non-equilibrium stochastic processes; but its generalization to higher dimensions is limited. Here, we introduce the MPA…

Matrix-product states (MPS) have proven to be a versatile ansatz for modeling quantum many-body physics. For many applications, and particularly in one-dimension, they capture relevant quantum correlations in many-body wavefunctions while…

This paper presents a novel stabilized mixed material point method (MPM) designed for the unified modeling of free-surface and seepage flow. The unified formulation integrates the Navier-Stokes equation with the Darcy-Brinkman-Forchheimer…

A new implementation for the time evolution of the magnetic vector potential is obtained for smoothed particle magnetohydrodynamics by considering the induction equation in integral form. Galilean invariance is achieved through proper gauge…

In this article, we propose a new method for calculating the mixed correlation coefficient (Pearson, polyserial and polychoric) matrix and its covariance matrix based on the GMM framework. We build moment equations for each coefficient and…

Constructing matrix product operators (MPO) is at the core of the modern density matrix renormalization group (DMRG) and its time dependent formulation. For DMRG to be conveniently used in different problems described by different…

An off-lattice Monte Carlo algorithm for solutions of equilibrium polymers (EP) is proposed. At low and moderate densities this is shown to reproduce faithfully the (static) properties found recently for flexible linear EP using a lattice…

We study the phase transitions of a random copolymer chain with quenched disorder. We apply a replica variational approach based on a Gaussian trial Hamiltonian in terms of the correlation functions of monomer Fourier coordinates. This…

We present a new wavefunction ansatz that combines the strengths of spin projection with the language of matrix product states (MPS) and matrix product operators (MPO) as used in the density matrix renormalization group (DMRG).…

The last decade has witnessed the emergence of magneto-active polymers (MAPs) as one of the most advanced multi-functional soft composites. Depending on the magnetisation mechanisms and responsive behaviour, MAPs are mainly classified into…

A variational method for computing conformational properties of molecules with Lennard-Jones potentials for the monomer-monomer interactions is presented. The approach is tailored to deal with angular degrees of freedom, {\it rotors}, and…

Simulating quantum many-body systems (QMBS) is one of the long-standing, highly non-trivial challenges in condensed matter physics and quantum information due to the exponentially growing size of the system's Hilbert space. To date, tensor…

We develop variational matrix product state (MPS) methods with symmetries to determine dispersion relations of one dimensional quantum lattices as a function of momentum and preset quantum number. We test our methods on the XXZ spin chain,…

Work presented in this paper describes a general algorithm and its finite element implementation for performing concurrent multiple sub-domain simulations in linear structural dynamics. Using this approach one can solve problems in which…

Relativistic continuous matrix product states (RCMPS) are a powerful variational ansatz for quantum field theories of a single field. However, they inherit a property of their non-relativistic counterpart that makes them divergent for…

This work gives a detailed investigation of matrix product state (MPS) representations for pure multipartite quantum states. We determine the freedom in representations with and without translation symmetry, derive respective canonical…

A variational ansatz for momentum eigenstates of translation invariant quantum spin chains is formulated. The matrix product state ansatz works directly in the thermodynamic limit and allows for an efficient implementation (cubic scaling in…