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Bridging quantum chemistry and nuclear structure theory: Coupled-cluster calculations for closed- and open-shell nuclei

机译:桥接量子化学和核结构理论:闭合和开壳核的耦合簇计算

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We review basic elements of the single-reference coupled-cluster theory and discuss large scale ab initio calculations of ground and excited states of 15O, 16O, and 17O using coupled-cluster methods and algorithms developed in quantum chemistry. By using realistic two-body interactions and the renormalized form of the Hamiltonian obtained with a no-core G-matrix approach, we obtain the converged results for 16O and promising preliminary results for 15O and 17O at the level of two-body interactions. The calculated properties other than energies include matter density, charge radius, and charge form factor. The relatively low costs of coupled-cluster calculations, which are characterized by the low-order polynomial scaling with the system size, enable us to probe large model spaces with up to 7 or 8 major oscillator shells, for which non-truncated shell-model calculations for nuclei with A = 15 17 active particles are presently not possible. We argue that the use of coupled-cluster methods and computer algorithms developed by quantum chemists to calculate properties of nuclei is an important step toward the development of accurate and affordable many-body theories that cross the boundaries of various physical sciences.
机译:我们审查了单引用耦合集群理论的基本元素,并使用量子化学中开发的耦合集群方法和算法讨论了150,170和17O的地面和激发态的大规模AB初始态计算。通过使用现实的双体相互作用和用No-Core G-Matrix方法获得的Hamiltonian的重整化形式,我们获得了160的融合结果,并且在双体相互作用的水平下有150和17O的有望导致的初步结果。除能量之外的计算属性包括物质密度,电荷半径和电荷形状因子。耦合簇计算成本的相对较低的成本,其特征在于具有系统尺寸的低位多项式缩放,使我们能够探测具有多达7或8个主要振荡器壳的大型模型空间,其中非截断的壳牌模型目前,目前是不可能的核的计算与A = 1517活性颗粒。我们认为,使用量子化学家开发的耦合集群方法和计算机算法来计算核的性能是朝着跨越各种物理科学界限的准确且价格合理的许多机构的发展的重要一步。

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