Fast Computation of the Slater Integrals

DOI10.1137/050641004MaRDI QIDQ5296040zbMATH OpenOpenAlexFDO

Authors L. Gr. Ixaru, N. S. Scott, M. Penny Scott

Publication date 31 July 2007

Published in SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1137/050641004

zbMATH Keywords

computational atomic physicsCP methodseigenfunctionsexponential fittingfrequency dependent weightsHamiltonian matricesNewton-Cotes methodnumerical examplesR-matrixSchrödinger equationSlater integral

Mathematics Subject Classification ID

Particular ordinary differential operators (Dirac, one-dimensional Schrödinger, etc.) (34L40) Computation of special functions and constants, construction of tables (65D20) Numerical solution of eigenvalue problems involving ordinary differential equations (65L15) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) (S)-matrix theory, etc. in quantum theory (81U20) Atomic physics (81V45)

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Cited in

(10)

• A new method for calculating angular integrals in electron-atom scattering
• Integration by cell algorithm for Slater integrals in a spline basis
• Present state-of-the-art in exponential fitting. A contribution dedicated to Liviu Ixaru on his 70th birthday
• Efficient methods for computing integrals in electronic structure calculations
• scientific article; zbMATH DE number 1273709 (Why is no real title available?)
• Fast computation of close-coupling exchange integrals using polynomials in a tree representation
• Integrals of the paramagnetic contribution in the relativistic calculation of the shielding tensor
• Integral representations of eta functions and fractional calculus
• 2DRMP: A suite of two-dimensional R-matrix propagation codes
• Efficient computation of Hamiltonian matrix elements between non-orthogonal Slater determinants

Describes a project that uses

Uses Software

• SLEDGE

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