Highly accurate numerical solution of Hartree-Fock equation with pseudospectral method for closed-shell atoms
DOI10.1007/S10910-020-01144-ZzbMATH Open1448.81472OpenAlexW3036624753MaRDI QIDQ2201020FDOQ2201020
Publication date: 24 September 2020
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-020-01144-z
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Cites Work
- LAPACK Users' Guide
- DBSR\_HF: a B-spline Dirac-Hartree-Fock program
- Pseudospectral methods on a semi-infinite interval with application to the hydrogen atom: A comparison of the mapped Fourier-sine method with Laguerre series and rational Chebyshev expansions
- A B-spline Hartree-Fock program
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- Spectral Methods in Chemistry and Physics
- Pseudospectral methods of solution of the Schrödinger equation
- Title not available (Why is that?)
- Accurate finite element method for atomic calculations based on density functional theory and Hartree-Fock method
- Self-Consistent Field Theory for Open Shells of Electronic Systems
- Comment on ``Combined open shell Hartree-Fock theory of atomic-molecular and nuclear systems [J. Math. Chem. 42 (2007) 177]
- Pseudospectral solution of the Schrödinger equation for the Rosen-Morse and Eckart potentials
Cited In (5)
- Title not available (Why is that?)
- Title not available (Why is that?)
- A combined analytical and numerical strategy to solve the atomic Hartree- Fock equations in momentum space
- AIHFLTF: integrals in Laguerre function bases for electronic structure calculations in atoms
- Spectral scheme for atomic structure calculations in density functional theory
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