Analytic response theory for the density matrix renormalization group

Jonathan J. Dorando; Johannes Hachmann; Garnet Kin-Lic Chan

doi:10.1063/1.3121422

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arXiv · 0901.3166

Analytic response theory for the density matrix renormalization group

Jonathan J. Dorando·Johannes Hachmann·Garnet Kin-Lic Chan

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Abstract

We propose an analytic response theory for the density matrix renormalization group whereby response properties correspond to analytic derivatives of density matrix renormalization 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 frequency dependent polarizabilities of short oligo-di-acetylenes. The analytic response theory is competitive with dynamical density matrix renormalization group methods and yields significantly improved accuracies when using a small number of density matrix renormalization group states. Strengths and weaknesses of the analytic approach are discussed.

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Jonathan J. Dorando, Johannes Hachmann, Garnet Kin-Lic Chan. 2009-01-20. Analytic response theory for the density matrix renormalization group. https://doi.org/10.1063/1.3121422

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