JRAF: a Julia package for computation of relativistic molecular auxiliary functions

DOI10.1016/j.cpc.2021.108276zbMath1524.81069arXiv2104.11321OpenAlexW4205139434WikidataQ114192709 ScholiaQ114192709MaRDI QIDQ6102038

Ali Bağcı

Publication date: 20 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2104.11321

zbMATH Keywords

Dirac equationmolecular integralsrelativistic molecular auxiliary functions

Mathematics Subject Classification ID

Estimates of eigenvalues in context of PDEs (35P15) Fourier series in special orthogonal functions (Legendre polynomials, Walsh functions, etc.) (42C10) Electromagnetic interaction; quantum electrodynamics (81V10) Research exposition (monographs, survey articles) pertaining to quantum theory (81-02) Computational methods for problems pertaining to quantum theory (81-08) Spinor and twistor methods applied to problems in quantum theory (81R25) Covariant wave equations in quantum theory, relativistic quantum mechanics (81R20) Molecular physics (81V55) Orbital mechanics (70M20) Motion of charged particles (78A35)

Related Items (2)

A bi-directional method for evaluating integrals involving higher transcendental functions. HyperRAF: a Julia package for new hyper-radial functions ⋮ Complete and orthonormal sets of exponential-type orbitals with non-integer quantum numbers

Cites Work

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• On the mathematical nature of Guseinov's rearranged one-range addition theorems for Slater-type functions
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• Electronic structure of super heavy atoms revisited
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