Maps the quantum-electrostatic self-consistency problem to a non-linear Helmholtz equation, enabling construction of a convex functional for provable convergence that lifts to the exact solution in typically one or two iterations.
Pulay ,Convergence acceleration of iterative sequences
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Electrostatics in semiconducting devices II: Solving the Helmholtz equation
Maps the quantum-electrostatic self-consistency problem to a non-linear Helmholtz equation, enabling construction of a convex functional for provable convergence that lifts to the exact solution in typically one or two iterations.