No Core CI calculations for light nuclei with chiral 2- and 3-body forces

Maris, Pieter; Aktulga, H. Metin; Binder, Sven; Calci, Angelo; Çatalyürek, Ümit V.; Langhammer, Joachim; Ng, Esmond; Saule, Erik; Roth, Robert; Vary, James P.; Yang, Chao

doi:10.1088/1742-6596/454/1/012063

Title: No Core CI calculations for light nuclei with chiral 2- and 3-body forces

Journal Article · Thu Aug 01 00:00:00 EDT 2013 · Journal of Physics. Conference Series (Online)

DOI:https://doi.org/10.1088/1742-6596/454/1/012063· OSTI ID:1567330

Maris, Pieter ^[1]; Aktulga, H. Metin ^[2]; Binder, Sven ^[3]; Calci, Angelo ^[3]; Çatalyürek, Ümit V. ^[4]; Langhammer, Joachim ^[3]; Ng, Esmond ^[2]; Saule, Erik ^[4]; Roth, Robert ^[3]; Vary, James P. ^[1]; Yang, Chao ^[2]

Iowa State Univ., Ames, IA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Technische Univ. Darmstadt (Germany)
The Ohio State Univ., Columbus, OH (United States)

The atomic nucleus is a self-bound system of strongly interacting nucleons. In No-Core Configuration Interaction calculations, the nuclear wavefunction is expanded in Slater determinants of single-nucleon wavefunctions (Configurations), and the many-body Schrödinger equation becomes a large sparse matrix problem. The challenge is to reach numerical convergence to within quantified numerical uncertainties for physical observables using finite truncations of the infinite-dimensional basis space. We discuss strategies for constructing and solving the resulting large sparse matrices for a set of low-lying eigenvalues and eigenvectors on current multicore computer architectures. Several of these strategies have been implemented in the code MFDn, a hybrid MPI/OpenMP Fortran code for ab initio nuclear structure calculations that scales well to over 200,000 cores. We discuss how the similarity renormalization group can be used to improve the numerical convergence. We present results for excitation energies and other selected observables for ⁸Be and ¹²C using realistic 2- and 3-body forces obtained from chiral perturbation theory. Finally, we demonstrate that collective phenomena such as rotational band structures can emerge from these microscopic calculations.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Univ. of California, Oakland, CA (United States); Iowa State Univ., Ames, IA (United States); Old Dominion Univ., Norfolk, VA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)

Grant/Contract Number:: AC02-05CH11231; AC05-00OR22725; FC02-09ER41582; FG02-87ER40371; SC0006758; SC0008485

OSTI ID:: 1567330

Journal Information:: Journal of Physics. Conference Series (Online), Vol. 454; Conference: 24. IUPAP Conference on Computational Physics (IUPAP-CCP 2012), Kobe (Japan), 14-18 Oct 2012; ISSN 1742-6596

Publisher:: Institute of Physics (IOP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 15 works

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References (29)

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