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General-science Group Research Article Article ID: igmin317

Semiclassical Potential Function of B–B Interaction: Reduction to Integrable Form

Physics DOI10.61927/igmin317 Affiliation

Affiliation

    Engineering Physics Department, Georgian Technical University, 77 Merab Kostava Avenue, Tbilisi, 0160, Georgia

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Abstract

The paper represents Part 1 of 2 of the study aimed at constructing a semiclassical interaction potential between a pair of boron atoms in an analytical form, thus allowing one ab initio determination of the key ground state parameters of the diboron molecule B2. Based on semiclassical expressions for the electron orbitals of the B atom, the B–B potential function is reduced to a linear combination of exponential integrals, which can be calculated in elementary functions.

References

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