Analytic response theory for the density matrix renormalisation group

نویسندگان

  • Jonathan J. Dorando
  • Johannes Hachmann
چکیده

We propose an analytic response theory for the density matrix renormalisation group whereby response properties correspond to analytic derivatives of density matrix renormalisation group observables with respect to the applied perturbations. Both static and frequency-dependent response theories are formulated and implemented. We evaluate our pilot implementation by calculating static and frequencydependent polarisabilities of short oligo-di-acetylenes. The analytic response theory is competitive with dynamical density matrix renormalisation group methods and yields significantly improved accuracies when using a small number of density matrix renormalisation group states. Strengths and weaknesses of the analytic approach are discussed.

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تاریخ انتشار 2014