相关论文: Matrix Product Approach to Conjugated Polymers

We propose a new version of the matrix product (MP) states approach to the description of quantum spin chains, which allows one to construct MP states with certain total spin and its z-projection. We show that previously known MP…

We present a multi-scale computational approach that combines atomistic spin models with the cluster multipole (CMP) method. The CMP method enables a systematic and accurate generation of complex non-collinear magnetic structures using…

We extend the formalism of Matrix Product States (MPS) to describe one-dimensional gapped systems of fermions with both unitary and anti-unitary symmetries. Additionally, systems with orientation-reversing spatial symmetries are considered.…

Matrix product states (MPS) provide a powerful framework for characterizing one-dimensional symmetry-protected topological (SPT) phases of matter and for formulating Lieb-Schultz-Mattis (LSM)-type constraints. Here we generalize the MPS…

We investigate the application of matrix product states to the Hubbard model in one spatial dimension with both of open and periodic boundary conditions. We develop the variatinal method that the optimization of the variational parameters…

A new pairwise hybrid machine-learning/molecular mechanics (ML/MM) potential is introduced that is conceived for application to large, heterogeneous condensed-phase systems. The PhysNet ML method describes monomers and short-range dimer…

The Density Matrix Renormalization Group (DMRG) method has become a prominent tool for simulating strongly correlated electronic systems characterized by dominant static correlation effects. However, capturing the full scope of electronic…

We introduce a matrix product state (MPS) with an incommensurate periodicity by applying the spin-rotation operator of each site to a uniform MPS in the thermodynamic limit. The spin rotations decrease the variational energy with…

The continuous matrix product state (cMPS) ansatz is a promising numerical tool for studying quantum many-body systems in continuous space. Although it provides a clean framework that allows one to directly simulate continuous systems, the…

The ground state of a general pairing Hamiltonian for a finite nuclear system is constructed as a product of collective, real, distinct pairs. These are determined sequentially via an iterative variational procedure that resorts to…

We determine the computational difficulty of finding ground states of one-dimensional (1D) Hamiltonians which are known to be Matrix Product States (MPS). To this end, we construct a class of 1D frustration free Hamiltonians with unique MPS…

Matrix product states (MPS) serve as a key tool for studying quantum systems from chemistry and condensed-matter physics, making their preparation on quantum computers an important task in interfacing classical and quantum simulation. Many…

This paper presents a hybridized formulation for the weak Galerkin mixed finite element method (WG-MFEM) which was introduced and analyzed for second order elliptic equations. The WG-MFEM method was designed by using discontinuous piecewise…

Numerical methods based on matrix product states (MPSs) are currently the de facto standard for calculating the ground-state properties of (quasi-)one-dimensional quantum many-body systems. While the properties of the low-lying excitations…

There has been a problem of gauge ambiguities with the Rabi Hamiltonian due to the fact that it can be derived from two formally different but physically equivalent fundamental Hamiltonians. This problem has recently been resolved for…

Combining the time-dependent variational principle (TDVP) algorithm with the parallelization scheme introduced by Stoudenmire and White for the density matrix renormalization group (DMRG), we present the first parallel matrix product state…

Matrix Product States (MPS) are a particular type of one dimensional tensor network states, that have been applied to the study of numerous quantum many body problems. One of their key features is the possibility to describe and encode…

This paper studies a polymer chain in the vicinity of a linear interface separating two immiscible solvents. The polymer consists of random monomer types, while the interface carries random charges. Both the monomer types and the charges…

We propose a simple variational wave function that captures the correct ground state energy of the spin-1 Heisenberg chain model to within 0.04\%. The wave function is written in the matrix product state (MPS) form with the bond dimension…

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…