On the computation of large-scale self-consistent-field iterations
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Publication:2399216
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Cites work
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- ARPACK Users' Guide
- Computational chemistry from the perspective of numerical analysis
- Decay properties of spectral projectors with applications to electronic structure
- Density-based globally convergent trust-region methods for self-consistent field electronic structure calculations
- FEAST as a subspace iteration eigensolver accelerated by approximate spectral projection
- Inexact restoration approach for minimization with inexact evaluation of the objective function
- Mathematical methods in quantum chemistry. An introduction
- Practical methods of optimization.
- Some Recent Advances in Density Matrix Theory
Cited in
(8)- A study of large field configurations in MC simulations
- On the efficient computation of large scale singular sums with applications to long-range forces in crystal lattices
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