Analysis of the convergence of lattice sums arising in the configuration space Hartree-Fock Roothaan method for model chains

Joseph Delhalle

doi:10.1016/0166-1280(84)80053-6

Analysis of the convergence of lattice sums arising in the configuration space Hartree-Fock Roothaan method for model chains

Joseph Delhalle

Unite de recherche en physiologie moleculaire

Résultats de recherche: Contribution à un journal/une revue › Article

Résumé

Some mathematical implications of the extended nature of model chains are reviewed and put in perspective with computational aspects of electronic structure calculations of polymers.

langue originale	Anglais
Pages (de - à)	181-189
Nombre de pages	9
journal	Journal of Molecular Structure: THEOCHEM
Volume	107
Les DOIs	https://doi.org/10.1016/0166-1280(84)80053-6
Etat de la publication	Publié - 1984

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10.1016/0166-1280(84)80053-6

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title = "Analysis of the convergence of lattice sums arising in the configuration space Hartree-Fock Roothaan method for model chains",

abstract = "Some mathematical implications of the extended nature of model chains are reviewed and put in perspective with computational aspects of electronic structure calculations of polymers.",

author = "Joseph Delhalle",

year = "1984",

doi = "10.1016/0166-1280(84)80053-6",

language = "English",

volume = "107",

pages = "181--189",

journal = "Journal of Molecular Structure: THEOCHEM",

issn = "0166-1280",

publisher = "Elsevier",

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TY - JOUR

T1 - Analysis of the convergence of lattice sums arising in the configuration space Hartree-Fock Roothaan method for model chains

AU - Delhalle, Joseph

PY - 1984

Y1 - 1984

N2 - Some mathematical implications of the extended nature of model chains are reviewed and put in perspective with computational aspects of electronic structure calculations of polymers.

AB - Some mathematical implications of the extended nature of model chains are reviewed and put in perspective with computational aspects of electronic structure calculations of polymers.

U2 - 10.1016/0166-1280(84)80053-6

DO - 10.1016/0166-1280(84)80053-6

M3 - Article

SN - 0166-1280

VL - 107

SP - 181

EP - 189

JO - Journal of Molecular Structure: THEOCHEM

JF - Journal of Molecular Structure: THEOCHEM

ER -

Analysis of the convergence of lattice sums arising in the configuration space Hartree-Fock Roothaan method for model chains

Résumé

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