Convergence Acceleration Scheme for Self-consistent Orthogonal-basis-set Electronic Structure Methods
From MaRDI portal
Recommendations
- Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges
- Density-based globally convergent trust-region methods for self-consistent field electronic structure calculations
- Reformulation of the Anderson method using singular value decomposition for stable convergence in self-consistent calculations
- Adaptive regularized self-consistent field iteration with exact Hessian for electronic structure calculation
- A rapidly converging algorithm for solving the Kohn-Sham and related equations in electronic structure theory
Cited in
(6)- Convergence acceleration of iterative sequences for equilibrium chemistry computations
- Analysis of self-consistent extended Hückel theory (SC-EHT): a new look at the old method
- Reformulation of the Anderson method using singular value decomposition for stable convergence in self-consistent calculations
- Self-consistent tight binding model adapted for hydrocarbon systems
- Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges
- Density-based globally convergent trust-region methods for self-consistent field electronic structure calculations
This page was built for publication: Convergence Acceleration Scheme for Self-consistent Orthogonal-basis-set Electronic Structure Methods
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q4415981)
