Laplace-transformed denominators in perturbation theory: Linear-scaling second-order treatment of weakly interacting nanostructures

Péter R. Surján, Armand Lázár, A. Szabados

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Abstract

Energy denominators occurring in perturbation theory can be factorized if one writes them as exponentials using Laplace transformation. This idea is especially useful if weak interaction between large many-electron systems is to be described at many points in the configuration space. The expensive part of the calculation has to be performed only once, while the interaction at various geometrical arrangements is calculated by a simple site-site formula facilitating a linear scaling, [Formula Presented] technique. The interaction between the layers of a 300 Å long double-wall chiral nanotube is computed to illustrate the formalism. The results indicate a slight preference of heterochiral (6, 4)@(11, 9) double-wall nanotube as compared to the homochiral one.

Original languageEnglish
Number of pages1
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume68
Issue number6
DOIs
Publication statusPublished - Jan 1 2003

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nanotubes
perturbation theory
scaling
Laplace transformation
interactions
formalism
configurations
electrons
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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abstract = "Energy denominators occurring in perturbation theory can be factorized if one writes them as exponentials using Laplace transformation. This idea is especially useful if weak interaction between large many-electron systems is to be described at many points in the configuration space. The expensive part of the calculation has to be performed only once, while the interaction at various geometrical arrangements is calculated by a simple site-site formula facilitating a linear scaling, [Formula Presented] technique. The interaction between the layers of a 300 {\AA} long double-wall chiral nanotube is computed to illustrate the formalism. The results indicate a slight preference of heterochiral (6, 4)@(11, 9) double-wall nanotube as compared to the homochiral one.",
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