A reduced basis method applied to the restricted Hartree-Fock equations

DOI10.1016/J.CRMA.2007.11.015MaRDI QIDQ2473002zbMATH OpenOpenAlexFDO

Authors Ulrich Razafison, Yvon Maday

Publication date 25 February 2008

Published in Comptes Rendus. Mathématique. Académie des Sciences, Paris (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.crma.2007.11.015

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55)

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Cites work

• A reduced basis element method for the steady Stokes problem
• An `empirical interpolation' method: Application to efficient reduced-basis discretization of partial differential equations
• Certified real‐time solution of the parametrized steady incompressible Navier–Stokes equations: rigorous reduced‐basis a posteriori error bounds
• scientific article; zbMATH DE number 3877692 (Why is no real title available?)
• scientific article; zbMATH DE number 2152892 (Why is no real title available?)
• scientific article; zbMATH DE number 5208477 (Why is no real title available?)
• Output bounds for reduced-basis approximations of symmetric positive definite eigenvalue problems
• Reduced basis approximation and a posteriori error estimation for affinely parametrized elliptic coercive partial differential equations. Application to transport and continuum mechanics.
• Towards reduced basis approaches in ab initio electronic structure computations

Cited in

(8)

• Error bars and quadratically convergent methods for the numerical simulation of the Hartree-Fock equations
• Towards reduced basis approaches in ab initio electronic structure computations
• Reduced rank extrapolation applied to electronic structure computations
• \({h-P}\) finite element approximation for full-potential electronic structure calculations
• Variational approach to electronic structure calculations on second-order reduced density matrices and the N-representability problem
• scientific article; zbMATH DE number 16033 (Why is no real title available?)
• Error estimates for Hermite and even-tempered Gaussian approximations in quantum chemistry
• The reduced basis method in all-electron calculations with finite elements

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