An approximate eigensolver for self-consistent field calculations
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Publication:398605
This paper presents a numerical method for approximate solving the generalized eigenvalue problem, originated in electronics structure computations. The computational cost and scalability of parallelization of this method is compared to the standard solvers used in the field, and illustrated on several numerical examples. A detailed error analysis is included.
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Cited in
(14)- Fast solution of Schrödinger's equation using linear combinations of plane waves
- Solution of large eigenvalue problems in electronic structure calculations
- Interpolating self consistent field for eigenvector nonlinearities
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- Hybrid eigensolvers for nuclear configuration interaction calculations
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