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A level shift preserves a fixed occupied projector exactly under block ordering
Statement
Let and be as in The occupied-projector response map on its strict-gap domain, and take so that is defined and Hermitian. Define the level-shifted matrix for real , and define the Hermitian compressions For either finite-dimensional Hermitian block, denotes its finite eigenvalue set. When , these compressions are the restrictions of to the two invariant subspaces. Then if and only if and The strict inequality is the shifted occupied/unoccupied ordering. A level shift can change the map when either commutation or this ordering fails.
Facts & Assumptions
Given: A rank- orthogonal projector , a Hermitian matrix , and .
A rank- orthogonal projector satisfies (Rank-r orthogonal projector domain).
A Hermitian matrix admits an orthonormal eigenbasis, and its spectral projector onto an isolated lowest- cluster commutes with the matrix (Complex spectral theorem: a normal endomorphism of a finite-dimensional complex inner product space has an orthonormal eigenbasis, and conversely, The occupied-projector response map on its strict-gap domain).
A strict occupied gap gives the unique rank- projector selected by the response-map convention (A strict occupied gap defines a unique rank-r spectral projector).
Proof
Assume . Then both and are invariant under : if , then , and the analogous identity holds when . Relative to their orthogonal direct sum, is block diagonal and leaves the occupied block unchanged while adding on the virtual block.
By [F2], the eigenvalues of are exactly those of together with those of shifted by . If , the lowest eigenvalues are precisely the occupied block and the gap is strict; [L1] gives .
Conversely, if , its defining strict gap makes the sum of the eigenspace projectors of for the lowest eigenvalues, so commutes with . Since , this gives , and the two restrictions are the occupied and virtual blocks of . Their eigenvalues in are respectively and . Because is exactly the lowest- spectral projector with a strict gap, the largest occupied eigenvalue is strictly smaller than the smallest shifted virtual eigenvalue; hence the displayed ordering holds.
Depends on
- The occupied-projector response map on its strict-gap domain
- A strict occupied gap defines a unique rank-r spectral projector
- Rank-r orthogonal projector domain
- Complex spectral theorem: a normal endomorphism of a finite-dimensional complex inner product space has an orthonormal eigenbasis, and conversely
Used by
Nothing in the library uses this result yet.
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Sources
- Eric Cancès and Claude Le Bris, On the convergence of SCF algorithms for the Hartree-Fock equations, §2.2 and §4 (standard reference, not scraped)