Accurate computations of bound state properties in three- and four-electron atomic systems in the basis of multi-dimensional gaussoids

DOI10.1007/S10910-016-0671-2zbMATH Open1360.81335arXiv1604.06355OpenAlexW2963754889MaRDI QIDQ511887FDOQ511887

Authors: Alexei M. Frolov, David M. Wardlaw 

Publication date: 22 February 2017

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Abstract: Results of accurate computations of bound states in three- and four-electron atomic systems are discussed. Bound state properties of the four-electron lithium ion Li${}^{-}$ in its ground $2^{2}S-$state are determined from the results of accurate, variational computations. We also consider a closely related problem of accurate numerical evaluation of the half-life of the beryllium-7 isotope. This problem is of paramount importance for modern radiochemistry.

Full work available at URL: https://arxiv.org/abs/1604.06355

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zbMATH Keywords

bound statesberyllium isotopeslithium ion

Mathematics Subject Classification ID

Molecular physics (81V55) Quantum state spaces, operational and probabilistic concepts (81P16)

Cites Work

• Title not available (Why is that?)
• Title not available (Why is that?)
• On the interpolation formula for the bound state energies of atomic systems

Cited In (7)

• A detailed derivation of Gaussian orbital-based matrix elements in electron structure calculations
• Semi-exponential basis for highly accurate computations of three-electron atomic systems
• Precision Calculations for Three-Body Molecular Bound States
• Highly accurate evaluation of the singular properties for the positronium and hydrogen negative ions
• Theoretical study of the electronic structure of the alkaline earth BeLi\(^{2+}\) ion
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• The \(HD\) and \(H\bar D\) methods for accelerating the convergence of three-center nuclear attraction and four-center two-electron Coulomb integrals over \(B\) functions and their convergence properties

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