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Computing singularities of perturbation series
Departement Computerwetenschappen, Katholieke Universiteit Leuven.ORCID iD: 0000-0001-9443-8772
2011 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 83, no 3, 032505- p.Article in journal (Refereed) Published
Abstract [en]

Many properties of current ab initio approaches to the quantum many-body problem, both perturbational and otherwise, are related to the singularity structure of the Rayleigh-Schrodinger perturbation series. A numerical procedure is presented that in principle computes the complete set of singularities, including the dominant singularity which limits the radius of convergence. The method approximates the singularities as eigenvalues of a certain generalized eigenvalue equation which is solved using iterative techniques. It relies on computation of the action of the Hamiltonian matrix on a vector and does not rely on the terms in the perturbation series. The method can be useful for studying perturbation series of typical systems of moderate size, for fundamental development of resummation schemes, and for understanding the structure of singularities for typical systems. Some illustrative model problems are studied, including a helium-like model with delta-function interactions for which Moller-Plesset perturbation theory is considered and the radius of convergence found.

Place, publisher, year, edition, pages
2011. Vol. 83, no 3, 032505- p.
National Category
Computer and Information Science
Identifiers
URN: urn:nbn:se:kth:diva-53360DOI: 10.1103/PhysRevA.83.032505ISI: 000288445700003OAI: oai:DiVA.org:kth-53360DiVA: diva2:469987
Note
QC 20111229Available from: 2011-12-27 Created: 2011-12-27 Last updated: 2017-12-08Bibliographically approved

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Jarlebring, Elias

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