The convergence of the direct lattice sums in the random phase approximation method applied to periodic infinite systems

Research output: Contribution to journalArticle

Abstract

The random phase approximation procedure applied to stereoregular polymers requires the evaluation of two types of two-electron integrals between crystal orbitals. Proofs are given in this work that for both types, the direct lattice sums converge. Infinite hydrogen chains are used as model examples.

Original languageEnglish
Pages (from-to)232-242
Number of pages11
JournalChemical Physics Letters
Volume210
Issue number1-3
Publication statusPublished - 23 Jul 1993

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Hydrogen
Polymers
orbitals
Crystals
Electrons
evaluation
polymers
hydrogen
approximation
crystals
electrons

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title = "The convergence of the direct lattice sums in the random phase approximation method applied to periodic infinite systems",
abstract = "The random phase approximation procedure applied to stereoregular polymers requires the evaluation of two types of two-electron integrals between crystal orbitals. Proofs are given in this work that for both types, the direct lattice sums converge. Infinite hydrogen chains are used as model examples.",
author = "Beno{\^i}t Champagne and Mosley, {David H.} and Jean-Marie Andr{\'e}",
year = "1993",
month = "7",
day = "23",
language = "English",
volume = "210",
pages = "232--242",
journal = "Chemical Physics Letters",
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The convergence of the direct lattice sums in the random phase approximation method applied to periodic infinite systems. / Champagne, Benoît; Mosley, David H.; André, Jean-Marie.

In: Chemical Physics Letters, Vol. 210, No. 1-3, 23.07.1993, p. 232-242.

Research output: Contribution to journalArticle

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T1 - The convergence of the direct lattice sums in the random phase approximation method applied to periodic infinite systems

AU - Champagne, Benoît

AU - Mosley, David H.

AU - André, Jean-Marie

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N2 - The random phase approximation procedure applied to stereoregular polymers requires the evaluation of two types of two-electron integrals between crystal orbitals. Proofs are given in this work that for both types, the direct lattice sums converge. Infinite hydrogen chains are used as model examples.

AB - The random phase approximation procedure applied to stereoregular polymers requires the evaluation of two types of two-electron integrals between crystal orbitals. Proofs are given in this work that for both types, the direct lattice sums converge. Infinite hydrogen chains are used as model examples.

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