Ab initio coupled-cluster and configuration interaction calculations for 16O using the VUCOM interaction

被引:14
作者
Roth, Robert [1 ]
Gour, Jeffrey R. [2 ]
Piecuch, Piotr [2 ]
机构
[1] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany
[2] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA
来源
PHYSICAL REVIEW C | 2009年 / 79卷 / 05期
基金
美国国家科学基金会;
关键词
CORE SHELL-MODEL; FULL CCSDT MODEL; ELECTRON CORRELATION; SINGLE-REFERENCE; DOUBLES MODEL; GROUND-STATE; CLOSED-SHELL; EQUATIONS; MOMENTS; NUCLEI;
D O I
10.1103/PhysRevC.79.054325
中图分类号
O57 [原子核物理学、高能物理学];
学科分类号
070202 ;
摘要
Using the ground-state energy of O-16 obtained with the realistic V-UCOM interaction as a test case, we present a comprehensive comparison of different configuration interaction (CI) and coupled-cluster (CC) methods, analyzing the intrinsic advantages and limitations of each of the approaches. In particular, we use the importance-truncated (IT) CI and no-core shell model (NCSM) schemes with up to 4-particle-4-hole (4p4h) excitations, with and without the Davidson extensivity corrections, as well as the size extensive CC methods with a complete treatment of one- and two-body clusters (CCSD) and a noniterative treatment of connected three-body clusters via the completely renormalized correction to the CCSD energy defining the CR-CC(2,3) approach, which are all capable of handling larger systems with dozens of explicitly correlated fermions. We discuss the impact of the center-of-mass contaminations, the choice of the single-particle basis, and size-extensivity on the resulting energies. When the IT-CI and IT-NCSM methods include the 4p4h excitations and when the CC calculations include the 1p1h, 2p2h, and 3p3h clusters, as in the CR-CC(2,3) approach, we observe an excellent agreement among the different methodologies, particularly when the Davidson extensivity corrections are added to the IT-CI energies and the effects of the connected three-body clusters are accounted for in the CC calculations. This shows that despite their individual limitations, the IT-CI, IT-NCSM, and CC methods can provide precise and consistent ab initio nuclear structure predictions. Furthermore, the IT-CI, IT-NCSM, and CC ground-state energy values obtained for O-16 are in reasonable agreement with the experimental value, providing further evidence that the V-UCOM two-body interaction may allow for a good description of binding energies for heavier nuclei and that all of the methods used in this study account for most of the relevant particle correlation effects.
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页数:19
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