A multigrid conjugate residual method for the numerical solution of the Hartree-Fock equation for diatomic molecules
DOI10.1016/0021-9991(92)90272-ZzbMATH Open0744.65088MaRDI QIDQ1184591FDOQ1184591
Publication date: 28 June 1992
Published in: Journal of Computational Physics (Search for Journal in Brave)
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preconditionermultigrid methoddiatomic moleculesiterative procedureHartree-Fock equationsGauss-Seidel relaxationOrthomin methodmultigrid conjugate residual method
Probabilistic models, generic numerical methods in probability and statistics (65C20) Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) Iterative numerical methods for linear systems (65F10) PDEs in connection with quantum mechanics (35Q40) Applications to the sciences (65Z05)
Cites Work
- Practical Use of Some Krylov Subspace Methods for Solving Indefinite and Nonsymmetric Linear Systems
- Multigrid Methods for Differential Eigenproblems
- A numerical study of various algorithms related to the preconditioned conjugate gradient method
- A survey of preconditioned iterative methods for linear systems of algebraic equations
- A block preconditioned conjugate gradient method for solving high-order finite element matrix equations
- The multigrid method for accelerated solution of the discretized Schrödinger equation
Cited In (7)
- Computational considerations in solving the many electron problem for molecular systems
- Title not available (Why is that?)
- Title not available (Why is that?)
- A finite difference Hartree-Fock program for atoms and diatomic molecules
- A numerical method for the Hartree equation of the helium atom
- An inverse iteration method using multigrid for quantum chemistry
- Vectorizable algorithm for the (multicolour) successive overrelaxation method
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