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

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

1999-08-04

arxiv.org/abs/cond-mat/9908062v2

Physics

Condensed Matter

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

Scientific paper

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.

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