Integrals of the paramagnetic contribution in the relativistic calculation of the shielding tensor
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Publication:609583
DOI10.1007/s10910-010-9695-1zbMath1293.92031OpenAlexW2030884424MaRDI QIDQ609583
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
numerical integrationnonlinear transformationsquantum chemistryextrapolation methodsFourier integral transformationsmagnetic properties of moleculesnuclear shielding tensor
Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)
Related Items (3)
Compact formulae for three-center nuclear attraction integrals over exponential type functions ⋮ 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
Cites Work
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- The Fourier transform method and the \(S\overline D\) approach for the analytical and numerical treatment of multicenter overlap-like quantum similarity integrals
- The properties of sine, spherical Bessel and reduced Bessel functions for improving convergence of semi-infinite very oscillatory integrals: the evaluation of three-centre nuclear attraction integrals overBfunctions
- Efficient evaluation of the Fourier transform over products of Slater-type orbitals on different centers
- New representations for the spherical tensor gradient and the spherical delta function
- Extrapolation Methods for Oscillatory Infinite Integrals
- A New Method for Approximating Improper Integrals
- Analytic Atomic Wave Functions
- An extremely efficient and rapid algorithm for numerical evaluation of three-centre nuclear attraction integrals over Slater-type functions
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