Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userDensity-matrix-renormalization-group study of excitons in poly-diacetylene chains
207
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
We study the elementary excitations of a model Hamiltonian for the $pi$-electrons in poly-diacetylene chains. In these materials, the bare band gap is only half the size of the observed single-particle gap and the binding energy of the exciton of 0.5 eV amounts to 20% of the single-particle gap. Therefore, exchange and correlations due to the long-range Coulomb interaction require a numerically exact treatment which we carry out using the density-matrix renormalization group (DMRG) method. Employing both the Hubbard--Ohno potential and the screened potential in one dimension, we reproduce the experimental results for the binding energy of the singlet exciton and its polarizability. Our results indicate that there are optically dark states below the singlet exciton, in agreement with experiment. In addition, we find a weakly bound second exciton with a binding energy of 0.1 eV. The energies in the triplet sector do not match the experimental data quantitatively, probably because we do not include polaronic relaxation effects.
rate research
Read More
We introduce the transcorrelated Density Matrix Renormalization Group (tcDMRG) theory for the efficient approximation of the energy for strongly correlated systems. tcDMRG encodes the wave function as a product of a fixed Jastrow or Gutzwiller correlator and a matrix product state. The latter is optimized by applying the imaginary-time variant of time-dependent (TD) DMRG to the non-Hermitian transcorrelated Hamiltonian. We demonstrate the efficiency of tcDMRG at the example of the two-dimensional Fermi-Hubbard Hamiltonian, a notoriously difficult target for the DMRG algorithm, for different sizes, occupation numbers, and interaction strengths. We demonstrate fast energy convergence of tcDMRG, which indicates that tcDMRG could increase the efficiency of standard DMRG beyond quasi-monodimensional systems and provides a generally powerful approach toward the dynamic correlation problem of DMRG.
A quantum dot coupled to ferromagnetically polarized one-dimensional leads is studied numerically using the density matrix renormalization group method. Several real space properties and the local density of states at the dot are computed. It is shown that this local density of states is suppressed by the parallel polarization of the leads. In this case we are able to estimate the length of the Kondo cloud, and to relate its behavior to that suppression. Another important result of our study is that the tunnel magnetoresistance as a function of the quantum dot on-site energy is minimum and negative at the symmetric point.
In some cases the state of a quantum system with a large number of subsystems can be approximated efficiently by the density matrix renormalization group, which makes use of redundancies in the description of the state. Here we show that the achievable efficiency can be much better when performing density matrix renormalization group calculations in the Heisenberg picture, as only the observable of interest but not the entire state is considered. In some non-trivial cases, this approach can even be exact for finite bond dimensions.
Driving a quantum system periodically in time can profoundly alter its long-time correlations and give rise to exotic quantum states of matter. The complexity of the combination of many-body correlations and dynamic manipulations has the potential to uncover a whole field of new phenomena, but the theoretical and numerical understanding becomes extremely difficult. We now propose a promising numerical method by generalizing the density matrix renormalization group to a superposition of Fourier components of periodically driven many-body systems using Floquet theory. With this method we can study the full time-dependent quantum solution in a large parameter range for all evolution times, beyond the commonly used high-frequency approximations. Numerical results are presented for the isotropic Heisenberg antiferromagnetic spin-1/2 chain under both local(edge) and global driving for spin-spin correlations and temporal fluctuations. As the frequency is lowered, we demonstrate that more and more Fourier components become relevant and determine strong length- and frequency-dependent changes of the quantum correlations that cannot be described by effective static models.
We adapt the block-Lanczos density-matrix renormalization-group technique to study the spin transport in a spin chain coupled to two non-interacting fermionic leads. As an example, we consider leads described by two-dimensional tight-binding models on a square lattice. Although the simulations are carried out using a chain representation of the leads, observables in the original two-dimensional lattice can be calculated by reversing the block-Lanczos transformation. This is demonstrated for leads with Rashba spin-orbit coupling.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
