On the interpolation formula for the bound state energies of atomic systems

DOI10.1007/S10910-015-0544-0zbMATH Open1329.82008arXiv1502.01775OpenAlexW3099676467MaRDI QIDQ893004FDOQ893004

Authors: Alexei M. Frolov 

Publication date: 13 November 2015

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

Abstract: By using results of highly accurate computations of the total energies of a large number of few-electron atoms we construct a few interpolation formulas which can be used to approximate the total energies of bound atomic states. In our procedure the total energies of atomic states $E$ are represented as a function of the electric charge of atomic nucleus $Q$ and the total number of bound electrons $N_e$. Some general properties of the $E(Q,N_e)$ function are investigated. The knowledge of the $E(Q,N_e)$ function allows one to determine the total (and binding) energies of these states in arbitrary atoms and ions with different $Q$ and $N_e$.

Full work available at URL: https://arxiv.org/abs/1502.01775

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zbMATH Keywords

interpolationbound stateatomic term

Mathematics Subject Classification ID

Quantum equilibrium statistical mechanics (general) (82B10)

Cites Work

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Cited In (5)

• \(N\)-dependence of electronic energies in atoms and molecules: Mulliken and exponential inter\-pol\-ations
• On the use of Laplace's equation for global predictions of internuclear separation and dissociation energy
• Accurate computations of bound state properties in three- and four-electron atomic systems in the basis of multi-dimensional gaussoids
• Mass-dependencies of the bound state properties for three-body positronium-like exitonic complexes
• An exactly soluble base problem for atomic systems

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