Modification of the DIIS method for diagonalizing large matrices
DOI10.1088/0305-4470/27/4/015zbMATH Open0802.65044OpenAlexW1976947573MaRDI QIDQ4307115FDOQ4307115
Authors: Hanchul Kim, Byung Deok Yu, Jisoon Ihm 
Publication date: 11 December 1994
Published in: Journal of Physics A: Mathematical and General (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1088/0305-4470/27/4/015
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numerical exampleseigenvectorlow-lying eigenstatesHamiltonian matriceslarge matrixDIIS methodill-formed matriceslaw-lying eigenspectraquantum mechanical Schrödinger equationresidual minimization/direct inversion in the iterative subspace method
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- A critical appraisal of the rediagonalization method for construction of diabatic levels
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- On one-point iterations and DIIS
- A new method for diagonalising large matrices
- An analysis for the DIIS acceleration method used in quantum chemistry calculations
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