arXiv subjects

E. Jeckelmann

Publications and source records attributed to E. Jeckelmann.

21 records · Page 2Linked to original sources

arXiv1999

The Recurrent Variational Approach applied to the Electronic Structure of Conjugated Polymers

In this note, first the Recurrent Variational Approach (RVA) is introduced by using as example a non-trivial spin-model, the spin-1/2 antiferromagnetic two-leg-ladder. Then, a first application of this scheme to the electronic structure of conjugated polymers is proposed. An analogy between the two-leg ladder and the dimerized chain described by the Extended Peierls-Hubbard Hamiltonian is underlined and comparisons are made with DMRG calculations. The proposed ansatz is useful to get some analytical insight and it is a good starting point for further improvements using the RVA.

cond-mat↗

arXiv1999

Matrix Product Approach to Conjugated Polymers

The Matrix Product method (MPM) has been used in the past to generate variational ansatzs of the ground state (GS) of spin chains and ladders. In this paper we apply the MPM to study the GS of conjugated polymers in the valence bond basis, exploiting the charge and spin conservation as well as the electron-hole and spin-parity symmetries. We employ the $U-V-δ$ Hamiltonian which is a simplified version of the PPP Hamiltonian. For several coupling constants $U$ and $V$ and dimerizations $δ$ we compute the GS energy per monomer which agrees within a $2%-4%$ accuracy with the DMRG results. We also show the evolution of the MP-variational parameters in the weak and strong dimerization regimes.

cond-mat.str-el↗

arXiv1998

Comparison of different ladder models

Using density matrix renormalization group calculations, we compare results obtained for the t-J, one-band Hubbard and three-band Hubbard models of a two-leg CuO ladder. Spin and charge gaps, pair binding energies, and effective pair hoppings are calculated for a wide range of parameters. All three models have an insulating state at a filling corresponding to one hole per Cu site. For physically relevant parameters their spin gaps are similar in size but they exhibit quite different charge gaps. We find that the binding energy of a pair of doped holes is of the order of the undoped ladder spin gap for all three models. The main difference between the models is the size of the effective pair hopping, which is significantly larger in the three-band model with parameters appropriate for CuO materials than in the other two models.

cond-mat.supr-con↗