Literature DB >> 19449912

Analytic response theory for the density matrix renormalization group.

Jonathan J Dorando1, Johannes Hachmann, Garnet Kin-Lic Chan.   

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.

Entities:  

Year:  2009        PMID: 19449912     DOI: 10.1063/1.3121422

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Exploring optimal multimode vibronic pathways in singlet fission of azaborine analogues of perylene.

Authors:  Rajat Walia; Jun Yang
Journal:  Photochem Photobiol Sci       Date:  2022-06-18       Impact factor: 4.328

  1 in total

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