Open-shell nuclei and excited states from multireference normal-ordered Hamiltonians
Open-shell nuclei and excited states from multireference normal-ordered Hamiltonians
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DOI：
10.1103/physrevc.93.031301
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发表时间：
2015-11
影响因子：
3.1
通讯作者：
E. Gebrerufael;A. Calci;R. Roth
中科院分区：
文献类型：
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作者：
E. Gebrerufael;A. Calci;R. Roth
我们讨论了使用正态排序和威克定理的多参考公式将三核子相互作用近似纳入从头算核结构计算中。继单参考正态排序成功应用于闭壳核基态研究（例如在耦合团簇理论中）之后，多参考正态排序开辟了一条通向开壳核和激发态的道路。基于不同的多行列式参考态，我们对 p 壳核（包括 6-Li、12-C 和 10-B）的无核壳模型计算中二体水平的正序哈密顿量的截断进行了基准测试。我们发现，这种多参考正序二体近似能够以足够的精度捕获 3N 相互作用的影响，无论是基态能量还是激发能，而计算成本却相当于二体哈密顿量。它在参考态的选择方面具有鲁棒性，并且在开壳核及其激发的从头计算核结构计算以及核反应研究中具有多种应用。
We discuss the approximate inclusion of three-nucleon interactions into ab initio nuclear structure calculations using a multi-reference formulation of normal ordering and Wick's theorem. Following the successful application of single-reference normal ordering for the study of ground states of closed-shell nuclei, e.g., in coupled-cluster theory, multi-reference normal ordering opens a path to open-shell nuclei and excited states. Based on different multi-determinantal reference states we benchmark the truncation of the normal-ordered Hamiltonian at the two-body level in no-core shell-model calculations for p-shell nuclei, including 6-Li, 12-C, and 10-B. We find that this multi-reference normal-ordered two-body approximation is able to capture the effects of the 3N interaction with sufficient accuracy, both, for ground-state and excitation energies, at the computational cost of a two-body Hamiltonian. It is robust with respect to the choice of reference states and has a multitude of applications in ab initio nuclear structure calculations of open-shell nuclei and their excitations as well as in nuclear reaction studies.