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

24th IUPAP Conference on Computational Physics

物理学;计算机科学

Maris, Pieter^1 ; Aktulga, H Metin^2 ; Binder, Sven^3 ; Calci, Angelo^3 ; Çatalyürek, Umit V.^4,5 ; Langhammer, Joachim^3 ; Ng, Esmond^2 ; Saule, Erik^4 ; Roth, Robert^3 ; Vary, James P.^1 ; Yang, Chao^2

Department of Physics and Astronomy, Iowa State University, Ames, IA 50011, United States^1

Computational Research Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, United States^2

Institut für Kernphysik, Technische Universität Darmstadt, 64289 Darmstadt, Germany^3

Department of Biomedical Informatics, Ohio State University, Columbus, OH 43210, United States^4

Department of Electrical and Computer Engineering, Ohio State University, Columbus, OH 43210, United States^5

关键词: Chiral perturbation theory;    Collective phenomena;    Eigenvalues and eigenvectors;    Infinite dimensional;    Nuclear wave functions;    Numerical convergence;    Numerical uncertainty;    Renormalization group;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/454/1/012063/pdf
DOI  :  10.1088/1742-6596/454/1/012063

学科分类：计算机科学（综合）

来源: IOP

【 摘 要 】

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 Schrodinger 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 for8Be and12C 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.