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arxiv: 1801.00900 · v1 · pith:SFU6OL5Jnew · submitted 2018-01-03 · 🧮 math.NA

Doubling algorithm for the discretized Bethe-Salpeter eigenvalue problem

classification 🧮 math.NA
keywords algorithmeigenvalueproblembethe-salpeterdiscretizeddouble-cayleydoublingstructure-preserving
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The discretized Bethe-Salpeter eigenvalue problem arises in the Green's function evaluation in many body physics and quantum chemistry. Discretization leads to a matrix eigenvalue problem for $H \in \mathbb{C}^{2n\times 2n}$ with a Hamiltonian-like structure. After an appropriate transformation of $H$ to a standard symplectic form, the structure-preserving doubling algorithm, originally for algebraic Riccati equations, is extended for the discretized Bethe-Salpeter eigenvalue problem. Potential breakdowns of the algorithm, due to the ill condition or singularity of certain matrices, can be avoided with a double-Cayley transform or a three-recursion remedy. A detailed convergence analysis is conducted for the proposed algorithm, especially on the benign effects of the double-Cayley transform. Numerical results are presented to demonstrate the efficiency and structure-preserving nature of the algorithm.

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