相关论文: Matrix Product Approach to Conjugated Polymers

We present a manifestly rotational invariant formulation of the matrix product method valid for spin chains and ladders. We apply it to 2 legged spin ladders with spins 1/2, 1 and 3/2 and different magnetic structures labelled by the…

Wilson's numerical renormalization group (NRG) method for solving quantum impurity models yields a set of energy eigenstates that have the form of matrix product states (MPS). White's density matrix renormalization group (DMRG) for treating…

Theoretical understanding of strongly correlated systems in one spatial dimension (1D) has been greatly advanced by the density-matrix renormalization group (DMRG) algorithm, which is a variational approach using a class of…

During the past 15 years, the density matrix renormalization group (DMRG) has become increasingly important for ab initio quantum chemistry. The underlying matrix product state (MPS) ansatz is a low-rank decomposition of the full…

We study the $J_1$-$J_2$ spin-$1/2$ chain using a path integral constructed over matrix product states (MPS). By virtue of its non-trivial entanglement structure, the MPS ansatz captures the key phases of the model even at a semi-classical,…

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,…

Common wisdom says that the entanglement of fermionic systems can be low in the second quantization formalism but is extremely large in the first quantization. Hence Matrix Product State (MPS) methods based on moderate entanglement have…

The symmetrized Density-Matrix-Renormalization-Group (DMRG) method is used to study linear and nonlinear optical properties of Free base porphine and metallo-porphine. Long-range interacting model, namely, Pariser-Parr-Pople (PPP) model is…

We introduce a simple and efficient variation of the tangent-space excitation ansatz used to compute elementary excitation spectra of one-dimensional quantum lattice systems using matrix product states (MPS). A small basis for the…

Matrix-product state (MPS) skeletons are connected networks of Hamiltonians with exact MPS ground states that underlie a phase diagram. Such skeletons have previously been found in classes of free-fermion models. For the…

The generalized density matrix (GDM) method is used to calculate microscopically the parameters of the collective Hamiltonian. Higher order anharmonicities are obtained consistently with the lowest order results, the mean field…

A Generalized Morse Potential (GMP) is an extension of the Morse Potential (MP) with an additional exponential term and an additional parameter that compensate for MP's erroneous behavior in the long range part of the interaction potential.…

The density-matrix renormalization group (DMRG) algorithm can be adapted to the calculation of dynamical correlation functions in various ways which all represent compromises between computational efficiency and physical accuracy. In this…

Starting from the $\pi$-electron Pariser-Parr-Pople (PPP) Hamiltonian which includes both strong electron-phonon and electron-electron interactions, we propose some strongly correlated wave functions of increasing quality for the ground…

Based on a parametric point-wise decomposition, a kind of isospectral deformation, of the exact one-particle probability density of an externally confined, analytically solvable interacting two-particle model system we introduce the…

Solving quantum many-body systems is one of the most significant regimes where quantum computing applies. Currently, as a hardware-friendly computational paradigms, variational algorithms are often used for finding the ground energy of…

We have implemented the sweep algorithm for the variational optimization of SU(2) x U(1) (spin and particle number) invariant matrix product states (MPS) for general spin and particle number invariant fermionic Hamiltonians. This class…

Conjugated system have complex behaviors when increasing the number of monomers, which is one of the reasons that makes long oligomers hard to be characterized by numerical methods. An ex- ample of this are fused-azulene, a molecule that…

The "2-variable general-$\lambda$-matrix polynomials (2VG$\lambda$MP)" is a new family of matrix polynomials, introduced and studied in this article. These matrix polynomials are constructed using umbral and symbolic methods. We delve into…

Explicitly correlated methods, such as the transcorrelated method which shifts a Jastrow or Gutzwiller correlator from the wave function to the Hamiltonian, are designed for high-accuracy calculations of electronic structures, but their…