Skip to main navigation Skip to search Skip to main content

Analytic response theory for the density matrix renormalization group

  • Cornell University

Research output: Contribution to journalArticlepeer-review

59 Scopus citations

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 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.

Original languageEnglish
Article number184111
JournalJournal of Chemical Physics
Volume130
Issue number18
DOIs
StatePublished - 2009

Fingerprint

Dive into the research topics of 'Analytic response theory for the density matrix renormalization group'. Together they form a unique fingerprint.

Cite this