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

Benoît Champagne; David H. Mosley; Jean-Marie André

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

Benoît Champagne, David H. Mosley, Jean-Marie André

Unite de recherche en chimie physique, theorique et structurale

Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

Résumé

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.

langue originale	Anglais
Pages (de - à)	232-242
Nombre de pages	11
journal	Chemical Physics Letters
Volume	210
Numéro de publication	1-3
Etat de la publication	Publié - 23 juil. 1993

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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.",

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JO - 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

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