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Enumeration of relativistic states for superheavy and transactinide dimers in the periodic table

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Abstract

We have employed combinatorial techniques based on multinomial symmetric function (S-function) techniques for exhaustive enumeration and generation of relativistic (ω–ω states) states originating from relativistic 2-component molecular spinors for the seventh row superheavy dimers (Nh2-Ts2), transactinide dimers (Rf2-Rg2) and Ac2. The multinomial generators are so powerful that the complete set of relativistic states of all seventh row superheavy dimers or transactinide dimers are enumerated and constructed in a single generating function. We have computed and constructed the enumeration tables for all valence ω–ω states for the 7p-block and 6d-block dimers (Nh2-Ts2, Rf2-Rg2). Our results show that there are 6455 S-function terms giving rise to 102,830 valence ω–ω states- all arising only from the 6d shells of Bh2. Extension of the developed techniques to relativistic 4-component and 4-spinors arising from fermionic spin-3/2 particles are also suggested with potential applications NMR spectroscopy.

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  1. School of Molecular Sciences, Arizona State University, Tempe, AZ, 85287-1604, USA

    Krishnan Balasubramanian

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  1. Krishnan Balasubramanian
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Correspondence to Krishnan Balasubramanian.

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Dedicated to 150th anniversary celebration of Dmitri Mendeleev’s Discovery of the Periodic Table.

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Balasubramanian, K. Enumeration of relativistic states for superheavy and transactinide dimers in the periodic table. J Math Chem 58, 458–496 (2020). https://doi.org/10.1007/s10910-019-01098-x

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