Integrals of the paramagnetic contribution in the relativistic calculation of the shielding tensor

DOI10.1007/S10910-010-9695-1zbMATH Open1293.92031OpenAlexW2030884424MaRDI QIDQ609583FDOQ609583

Hassan Safouhi

Publication date: 1 December 2010

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

Full work available at URL: https://doi.org/10.1007/s10910-010-9695-1

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zbMATH Keywords

numerical integrationnonlinear transformationsquantum chemistryextrapolation methodsFourier integral transformationsmagnetic properties of moleculesnuclear shielding tensor

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Title not available (Why is that?)
• The Fourier transform method and the \(S\overline D\) approach for the analytical and numerical treatment of multicenter overlap-like quantum similarity integrals
• Analytic Atomic Wave Functions
• Title not available (Why is that?)
• A New Method for Approximating Improper Integrals
• New representations for the spherical tensor gradient and the spherical delta function
• The properties of sine, spherical Bessel and reduced Bessel function for improving convergence of semi-infinite very oscillatory integrals: The evaluation of three-centre nuclear attraction integrals over \(B\) functions
• Extrapolation Methods for Oscillatory Infinite Integrals
• An extremely efficient and rapid algorithm for numerical evaluation of three-centre nuclear attraction integrals over Slater-type functions
• Efficient evaluation of the Fourier transform over products of Slater-type orbitals on different centers

Cited In (3)

• On the mathematical nature of Guseinov's rearranged one-range addition theorems for Slater-type functions
• NONHOLONOMIC DYNAMICS OF SECOND ORDER AND THE HEISENBERG SPINNING PARTICLE
• Compact formulae for three-center nuclear attraction integrals over exponential type functions

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