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Published May 14, 2009 | Published + Accepted Version
Journal Article Open

Analytic response theory for the density matrix renormalization group


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 oligodiacetylenes. 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.

Additional Information

© 2009 American Institute of Physics. Received 20 January 2009; accepted 23 March 2009; published online 13 May 2009. Support from the Cornell Center for Materials Research, the National Science Foundation through Grant No. CHE-0645380, and the Department of Energy, Office of Science through Award No. DE-FG02-07ER46432 is acknowledged.

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Accepted Version - 0901.3166.pdf

Published - 1_2E3121422.pdf


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August 21, 2023
August 21, 2023