### 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 language | English |
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Number of pages | 1 |

Journal | Physical Review A - Atomic, Molecular, and Optical Physics |

Volume | 68 |

Issue number | 6 |

DOIs | |

Publication status | Published - Jan 1 2003 |

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### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

**Laplace-transformed denominators in perturbation theory : Linear-scaling second-order treatment of weakly interacting nanostructures.** / Surján, Péter R.; Lázár, Armand; Szabados, A.

Research output: Contribution to journal › Article

}

TY - JOUR

T1 - Laplace-transformed denominators in perturbation theory

T2 - Linear-scaling second-order treatment of weakly interacting nanostructures

AU - Surján, Péter R.

AU - Lázár, Armand

AU - Szabados, A.

PY - 2003/1/1

Y1 - 2003/1/1

N2 - 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.

AB - 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.

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U2 - 10.1103/PhysRevA.68.062503

DO - 10.1103/PhysRevA.68.062503

M3 - Article

AN - SCOPUS:85037198768

VL - 68

JO - Physical Review A

JF - Physical Review A

SN - 2469-9926

IS - 6

ER -