Evaluation of Hylleraas-CI atomic integrals by integration over the coordinates of one electron. I: Three-electron integrals

DOI10.1007/S10910-008-9397-0MaRDI QIDQ1028014zbMATH OpenOpenAlexFDO

Authors María Belén Ruiz

Publication date 30 June 2009

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

Full work available at URL https://doi.org/10.1007/s10910-008-9397-0

zbMATH Keywords

Hylleraas-CIkinetic energySlater orbitalsthree-electron integrals

Mathematics Subject Classification ID

Computational methods for problems pertaining to biology (92-08) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• Atomic Many-Body Problem. II. The Matrix Components of the Hamiltonian with Respect to Correlated Wave Functions
• Evaluation of some integrals required in low-energy electron or positron- atom scattering
• Generalization of Laplace's Expansion to Arbitrary Powers and Functions of the Distance between Two Points
• scientific article; zbMATH DE number 3140172 (Why is no real title available?)
• scientific article; zbMATH DE number 3191217 (Why is no real title available?)
• On the eigenfunctions of many-particle systems in quantum mechanics
• On the Ground State of Lithium
• Variational Calculation of the Ground State of the Lithium Atom

Cited in

(9)

• Evaluation of Hylleraas-CI atomic integrals by integration over the coordinates of one electron. II: Four-electron integrals
• On the products of bipolar harmonics
• Calculation of STOs electron repulsion integrals by ellipsoidal expansion and large-order approximations
• Evaluation of Hylleraas-CI atomic integrals by integration over the coordinates of one electron. IV: An improved algorithm for three-electron kinetic energy integrals
• Computation of two-electron screened Coulomb potential integrals in Hylleraas basis sets
• Analysis of atomic integrals involving explicit correlation factors for the three-electron case. I: Connection to the hypergeometric function \(_{3}F_{2}\)
• Variational solution of the Dirac-Coulomb equation using explicitly correlated wavefunctions. Matrix elements and radial integrals
• Numerical evaluation of three-center two-electron Coulomb and hybrid integrals over \(B\) functions using the \(HD\) and \(H\overline{D}\) methods and convergence properties
• Evaluation of Hylleraas-CI atomic integrals. III: Two-electron kinetic energy integrals

Describes a project that uses

Uses Software

• Maple

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