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arXiv · 1206.2932

Coupled-cluster calculations of properties of Boron atom as a monovalent system

H. Gharibnejad·A. Derevianko
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Abstract

We present relativistic coupled-cluster (CC) calculations of energies, magnetic-dipole hyperfine constants, and electric-dipole transition amplitudes for low-lying states of atomic boron. The trivalent boron atom is computationally treated as a monovalent system. We explore performance of the CC method at various approximations. Our most complete treatment involves singles, doubles and the leading valence triples. The calculations are done using several approximations in the coupled-cluster (CC) method. The results are within 0.2-0.4% of the energy benchmarks. The hyperfine constants are reproduced with 1-2% accuracy.

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H. Gharibnejad, A. Derevianko. 2012-06-13. Coupled-cluster calculations of properties of Boron atom as a monovalent system. https://doi.org/10.1103/physreva.86.022505

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