Generalized Householder Transformations for the Complex Symmetric Eigenvalue Problem
We present an intuitive and scalable algorithm for the diagonalization of complex symmetric matrices, which arise from the projection of pseudo--Hermitian and complex scaled Hamiltonians onto a suitable basis set of "trial" states. The algorithm diagonalizes complex and symmetric (non--Her...
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Veröffentlicht in: | arXiv.org 2013-09 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | We present an intuitive and scalable algorithm for the diagonalization of complex symmetric matrices, which arise from the projection of pseudo--Hermitian and complex scaled Hamiltonians onto a suitable basis set of "trial" states. The algorithm diagonalizes complex and symmetric (non--Hermitian) matrices and is easily implemented in modern computer languages. It is based on generalized Householder transformations and relies on iterative similarity transformations T -> T' = Q^T T Q, where Q is a complex and orthogonal, but not unitary, matrix, i.e, Q^T equals Q^(-1) but Q^+ is different from Q^(-1). We present numerical reference data to support the scalability of the algorithm. We construct the generalized Householder transformations from the notion that the conserved scalar product of eigenstates Psi_n and Psi_m of a pseudo-Hermitian quantum mechanical Hamiltonian can be reformulated in terms of the generalized indefinite inner product [integral of the product Psi_n(x,t) Psi_m(x,t) over dx], where the integrand is locally defined, and complex conjugation is avoided. A few example calculations are described which illustrate the physical origin of the ideas used in the construction of the algorithm. |
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ISSN: | 2331-8422 |
DOI: | 10.48550/arxiv.1301.5758 |