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Error estimation for linear and nonlinear eigenvalue problems arising from electronic structure calculation

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Academic year: 2021

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Table 1.1 – Different quantum chemistry codes using different discretization methods. coefficients, and the ξ α
Figure 1.6 – Wavelet example: Daubechies mother scaling function and wavelet used in BigDFT [191].
Table 2.1 – Table of some contributions for a priori and a posteriori analysis of eigenvalue problems
Figure 2.2 – Error balance algorithm given an error tolerance ε.
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