A gauge-invariant Fock-commutator preconditioner makes Jacobian-free Newton-Krylov solvers converge robustly for coupled cluster equations in arbitrary orbital gauges.
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A robust and efficient solver for coupled cluster equations
A gauge-invariant Fock-commutator preconditioner makes Jacobian-free Newton-Krylov solvers converge robustly for coupled cluster equations in arbitrary orbital gauges.