Improved algorithms for the lowest few eigenvalues and associated eigenvectors of large matrices
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Publication:1206584
DOI10.1016/0021-9991(92)90409-RzbMath0766.65037MaRDI QIDQ1206584
Ernest R. Davidson, Stephen C. Racine, Christopher W. Murray
Publication date: 1 April 1993
Published in: Journal of Computational Physics (Search for Journal in Brave)
performanceeigenvectorsconfiguration interaction methodDavidson algorithmelectronic wavefunctionslarge, real, symmetric matrixlowest eigenvaluesquasi degenerate variational perturbation theory
Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10)
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Cites Work
- Conjugate gradient method for the solution of linear equations: Application to molecular electronic structure calculations
- Calculation of eigenvectors of large matrices
- Generalizations of Davidson’s Method for Computing Eigenvalues of Sparse Symmetric Matrices
- A new method for diagonalising large matrices
