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A uniform derivative bound certifies contraction of relaxed density mixing
Statement
Let be nonempty, closed, and convex in Frobenius norm. Suppose is on an open neighborhood of , every matrix there has a strict th gap so the gapped projector map is defined, and for a fixed the relaxed map satisfies . If a certified induced-norm bound holds, where , then is a contraction on and its iterates converge to a unique fixed point. The derivative is The derivative bound is a separate hypothesis; alone does not imply contraction.
Facts & Assumptions
Given: A nonempty closed convex , a map defined on a neighborhood of with , a fixed , invariance , and .
The response map is wherever has a strict th gap (The occupied-projector response map on its strict-gap domain).
At a strict gap, the response map has a unique rank- projector value (A strict occupied gap defines a unique rank-r spectral projector).
The gapped block projector is and has the contour derivative on its common-gap neighborhood (A separated block spectral projector is Frechet differentiable with a resolvent bound).
A continuously differentiable vector-valued map with derivative norm bounded by on an interval is -Lipschitz (If is differentiable with integrable then ; and a bounded derivative makes Lipschitz).
A contraction of a nonempty complete metric space has a unique fixed point and convergent iterates (A contraction of a nonempty complete metric space into itself has exactly one fixed point, the limit of the iterates from any starting point).
The composition derivative is given by the chain rule (The chain rule for total derivatives: ).
A map has a continuous Frechet derivative on its open domain (Continuously differentiable maps, local inverses, and local diffeomorphisms).
The admissible density domain is complete in Frobenius norm (The admissible Hermitian density domain is closed, convex, and complete).
Proof
For , convexity puts the segment in for . By [F1] and [L1], is defined along this segment; [F2] gives its local regularity. For an increment , , so Frechet differentiability of gives . The chain rule [F5] on the segment gives . Its norm is at most by the assumed induced-norm bound; continuity follows from [F2] and [F6].
Apply [F3] on to this path. It yields , so is a contraction on .
Any Frobenius-Cauchy sequence in is Cauchy in , so [F7] gives a limit in ; closedness of places that limit in . Thus is complete. Invariance and step 2.1 allow [F4] to give a unique fixed point and convergence of all iterates from .
Depends on
- The fixed-particle admissible Hermitian density domain
- The occupied-projector response map on its strict-gap domain
- A strict occupied gap defines a unique rank-r spectral projector
- The admissible Hermitian density domain is closed, convex, and complete
- A separated block spectral projector is Frechet differentiable with a resolvent bound
- A contraction of a nonempty complete metric space into itself has exactly one fixed point, the limit of the iterates from any starting point
- If $f : [a,b] \to \mathbb{R}^m$ is differentiable with integrable $f'$ then $\int_a^b f' = f(b)-f(a)$; and a bounded derivative makes $f$ Lipschitz
- The chain rule for total derivatives: $D(g\circ f)(a)=Dg(f(a))\circ Df(a)$
- Continuously differentiable maps, local inverses, and local diffeomorphisms
Used by
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Sources
- Eric Cancès, Gaspard Kemlin, and Antoine Levitt, Convergence analysis of direct minimization and self-consistent iterations, §3.2 (standard reference, not scraped)
- Eric Cancès and Claude Le Bris, On the convergence of SCF algorithms for the Hartree-Fock equations, §2.2 (standard reference, not scraped)