Ab initio excited states from the in-medium similarity renormalization group

N. M. Parzuchowski, T. D. Morris, S. K. Bogner

Research output: Contribution to journalArticle

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Abstract

We present two new methods for performing ab initio calculations of excited states for closed-shell systems within the in-medium similarity renormalization group (IMSRG) framework. Both are based on combining the IMSRG with simple many-body methods commonly used to target excited states, such as the Tamm-Dancoff approximation (TDA) and equations-of-motion (EOM) techniques. In the first approach, a two-step sequential IMSRG transformation is used to drive the Hamiltonian to a form where a simple TDA calculation (i.e., diagonalization in the space of 1p1h excitations) becomes exact for a subset of eigenvalues. In the second approach, EOM techniques are applied to the IMSRG ground-state-decoupled Hamiltonian to access excited states. We perform proof-of-principle calculations for parabolic quantum dots in two dimensions and the closed-shell nuclei O16 and O22. We find that the TDA-IMSRG approach gives better accuracy than the EOM-IMSRG when calculations converge, but it is otherwise lacking the versatility and numerical stability of the latter. Our calculated spectra are in reasonable agreement with analogous EOM-coupled-cluster calculations. This work paves the way for more interesting applications of the EOM-IMSRG approach to calculations of consistently evolved observables such as electromagnetic strength functions and nuclear matrix elements, and extensions to nuclei within one or two nucleons of a closed shell by generalizing the EOM ladder operator to include particle-number nonconserving terms.

LanguageEnglish (US)
Article number044304
JournalPhysical Review C
Volume95
Issue number4
DOIs
StatePublished - Apr 4 2017

Profile

equations of motion
excitation
approximation
numerical stability
nuclei
versatility
ladders
nucleons
set theory
eigenvalues
quantum dots
electromagnetism
operators
ground state
matrices

ASJC Scopus subject areas

  • Nuclear and High Energy Physics

Cite this

Ab initio excited states from the in-medium similarity renormalization group. / Parzuchowski, N. M.; Morris, T. D.; Bogner, S. K.

In: Physical Review C, Vol. 95, No. 4, 044304, 04.04.2017.

Research output: Contribution to journalArticle

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