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

Abstract

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.

19 pages, 10 eps figs. Submitted to Progress in Theoretical Chemistry and Physics