相关论文: Structural and Electronic Instabilities in Polyace…

We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…

We have extended the density matrix renormalization group (DMRG) approach to two-fluid open many-fermion systems governed by complex-symmetric Hamiltonians. The applications are carried out for three- and four-nucleon (proton-neutron)…

In this paper we give an introduction to the numerical density matrix renormalization group (DMRG) algorithm, from the perspective of the more general matrix product state (MPS) formulation. We cover in detail the differences between the…

We extend the density matrix renormalization group to compute exact ground states of continuum many-electron systems in one dimension with long-range interactions. We find the exact ground state of a chain of 100 strongly correlated…

We investigated the valence electronic structure of diamondoid particles in the gas phase, utilizing valence photoelectron spectroscopy. The samples were singly or doubly covalently bonded dimers or trimers of the lower diamondoids. Both…

We study the dimer model on the square grid, with quenched random edge weights. Randomness is chosen to have a layered structure, similar to that of the celebrated McCoy-Wu disordered Ising model. Disorder has a highly non-trivial effect…

Competition between polaron and bipolaron inconjugated polymers with nondegenerate ground state is systematically studied in the extended Hubbard-Peierls model with the symmetry-breaking Brazovskii-Kirova term, using the density matrix…

A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…

The ground state of interacting particles on a disordered one-dimensional host-lattice is studied by a direct numerical method. It is shown that if the concentration of particles is small, then even a weak disorder of the host-lattice…

Using the density matrix renormalization group, we study the possibility of real space checkerboard patterns arising as the ground states of the t-J model. We find that checkerboards with a commensurate (pi,pi) background are not low energy…

Density-matrix renormalization group is used to study the pairing when both of electron-electron and electron-phonon interactions are strong in the Holstein-Hubbard model at half-filling in a region intermediate between the adiabatic…

In order to study the effect of interaction and lattice distortion on quantum coherence in one-dimensional Fermi systems, we calculate the ground state energy and the phase sensitivity of a ring of interacting spinless fermions on a…

The Pariser-Parr-Pople model of pi-conjugated electrons is solved by the density matrix renormalization group method for the light emitting polymer, poly(para-phenylene vinylene). The energies of the primary excited states are calculated.…

We investigate the application of the density-matrix renormalization group (DMRG) algorithm to a one-dimensional harmonic oscillator chain and compare the results with exact solutions, aiming to improve the algorithm efficiency. It has been…

We introduce the Nuclear Electronic All-Particle Density Matrix Renormalization Group (NEAP-DMRG) method for solving the time-independent Schr\"odinger equation simultaneously for electrons and other quantum species. In contrast to already…

We investigate the critical behavior of the S=1/2 alternating Heisenberg chain using the density matrix renormalization group (DMRG). The ground-state energy per spin and singlet-triplet energy gap are determined for a range of…

We study the one-dimensional Holstein model with spin-1/2 electrons at half-filling. Ground state properties are calculated for long chains with great accuracy using the density matrix renormalization group method and extrapolated to the…

The bond order wave (BOW) phase of the extended Hubbard model (EHM) in one dimension (1D) is characterized at intermediate correlation $U = 4t$ by exact treatment of $N$-site systems. Linear coupling to lattice (Peierls) phonons and…

We develop a density matrix renormalization group (DMRG) algorithm for constrained quantum lattice models that successfully {\it{implements the local constraints as symmetries in the contraction of the matrix product states and matrix…

In one dimension the coupling of electrons to phonons leads to a transition from a metallic to a Peierls distorted insulated state if the coupling exceeds a critical value. On the other hand, in two dimensions the electron-phonon…