articleTop 10% cited
Convergence acceleration of iterative sequences. the case of scf iteration
Chemical Physics Letters · 1980 · Vol. 73(2) · pp. 393–398
Péter Pulay✉(Eötvös Loránd University)
Matrix Theory and AlgorithmsAdvanced Optimization Algorithms ResearchIterative Methods for Nonlinear EquationsHessian matrixConvergence (economics)AccelerationApplied mathematicsNewton's methodIterative methodMathematicsMathematical optimizationComputer scienceAlgorithm
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References
The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
Journal of Computational Physics · 1975 · 2,511 citations
<i>Ab initio</i>calculation of force constants and equilibrium geometries in polyatomic molecules
Molecular Physics · 1969 · 2,366 citations
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