相关论文: Matrix Product Approach to Conjugated Polymers

We use the thread model for linear chains of interacting monomers, and the ``polymer reference interaction site model'' (PRISM) formalism to determine the monomer-monomer pair correlation function $h_{mm}(r)$ for dilute and semi-dilute…

We exploit the common mathematical structure of the numerical renormalization group and the density matrix renormalization group, namely, matrix product states, to implement an efficient numerical treatment of a two-lead, multi-level…

The particle-hole version of the density-matrix renormalization-group method (PH-DMRG) is utilized to calculate the ground-state energy of an interacting two-dimensional quantum dot. We show that a modification of the method, termed…

The inverse problem of 'eigenstates-to-Hamiltonian' is considered for an open chain of $N$ quantum spins in the context of Many-Body-Localization. We first construct the simplest basis of the Hilbert space made of $2^N$ orthonormal…

Polymers, composed of repeating structural units called monomers, are fundamental materials in daily life and industry. Accurate property prediction for polymers is essential for their design, development, and application. However, existing…

We continue exploring the Unitary Toy Model (UTM) as a playground for high energy collisions in QCD. Our new approach is based on the diagonalization of the evolution Hamiltonian. Part of the spectrum can be identified with intercepts of…

We study numerically the real time dynamics of lattice polarons by combining the Feynman path integral and the matrix product state (MPS) approach. By constructing and solving a flow equation, we show that the integrand, viewed as a…

Generally, the first step in modeling molecular magnets involves obtaining the low-lying eigenstates of a Heisenberg exchange Hamiltonian which conserves total spin and belongs usually to a non-Abelian point group. In quantum chemistry, it…

Numerical simulations are a powerful tool to study quantum systems beyond exactly solvable systems lacking an analytic expression. For one-dimensional entangled quantum systems, tensor network methods, amongst them Matrix Product States…

Matrix product states (MPS) and `dressed' ground states of quadratic mean fields (e.g. Gutzwiller projected Slater Determinants) are both important classes of variational wave-functions. This latter class has played important roles in…

A class of trigonometric integrator is proposed for the constrained ring polymer Hamiltonian dynamics, arising from the path integral molecular dynamics. The integrator is formulated by the composition of flows, thereby integrating the…

We show the feasibility of tensor network solutions for lattice gauge theories in Hamiltonian formulation by applying matrix product states algorithms to the Schwinger model with zero and non-vanishing fermion mass. We introduce new…

The low-energy enhancement observed in the deexcitation $\gamma$-ray strength functions, attributed to magnetic dipole (M1) radiations, has spurred theoretical efforts to improve on its description. Among the most widely used approaches are…

We characterize the conditions under which a translationally invariant matrix product state (MPS) is invariant under local transformations. This allows us to relate the symmetry group of a given state to the symmetry group of a simple…

In order to learn distributed port-Hamiltonian systems (dPHS) using Gaussian processes (GPs), the partitioned finite element method (PFEM) is combined with the Gp-dPHS method. By following a late lumping approach, the discretization of the…

Quantum many body physics simulations with Matrix Product States can often be accelerated if the quantum symmetries present in the system are explicitly taken into account. Conventionally, quantum symmetries have to be determined before…

A symmetrized Density Matrix Renormalization Group procedure together with the correction vector approach is shown to be highly accurate for obtaining dynamic linear and third order polarizabilities of one-dimensional Hubbard and $U-V$…

The Monomer Basis Representation (MBR) method developed in the first paper is applied to water dimer in order to illustrate its application and to show its validity. The calculations are done by using the SAPT-5st potential surface.…

We show that the formalism of tensor-network states, such as the matrix product states (MPS), can be used as a basis for variational quantum Monte Carlo simulations. Using a stochastic optimization method, we demonstrate the potential of…

We reconstruct a matrix product state (MPS) in reduced spaces using density matrix. This scheme applies to a MPS built on a blocked quantum lattice. Each block contains $N$ physical sites that have a local space of rank $R$. The simulation…