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

Unit of theoretical and structural physico-chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	232-242
Number of pages	11
Journal	Chemical Physics Letters
Volume	210
Issue number	1-3
Publication status	Published - 23 Jul 1993

Cite this

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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

Abstract

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