A floating spherical gaussian orbital model for polymers: I. General formalism and computational procedures

Jean-Marie André; Joseph Delhalle; [No Value] DEMANET; [No Value] LAMBERT-GERARD

doi:10.1002/qua.560100810

A floating spherical gaussian orbital model for polymers: I. General formalism and computational procedures

Jean-Marie André, Joseph Delhalle, [No Value] DEMANET, [No Value] LAMBERT-GERARD

Unite de recherche en physiologie moleculaire

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

Résumé

The application of the floating spherical Gaussian orbital (FSGO) method to the determination of band structures of regular polymers is described. Related computational problems are discussed.

langue originale	Anglais
Pages (de - à)	99-105
Nombre de pages	7
journal	International Journal of Quantum Chemistry
Volume	S10
Les DOIs	https://doi.org/10.1002/qua.560100810
Etat de la publication	Publié - 1976

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10.1002/qua.560100810

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@article{84f34b2808774d72aadc1ffadc4d2714,

title = "A floating spherical gaussian orbital model for polymers: I. General formalism and computational procedures",

abstract = "The application of the floating spherical Gaussian orbital (FSGO) method to the determination of band structures of regular polymers is described. Related computational problems are discussed.",

author = "Jean-Marie Andr{\'e} and Joseph Delhalle and DEMANET, {[No Value]} and LAMBERT-GERARD, {[No Value]}",

year = "1976",

doi = "10.1002/qua.560100810",

language = "English",

volume = "S10",

pages = "99--105",

journal = "International Journal of Quantum Chemistry",

issn = "0020-7608",

publisher = "John Wiley & Sons Inc.",

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T1 - A floating spherical gaussian orbital model for polymers

T2 - I. General formalism and computational procedures

AU - André, Jean-Marie

AU - Delhalle, Joseph

AU - DEMANET, [No Value]

AU - LAMBERT-GERARD, [No Value]

PY - 1976

Y1 - 1976

N2 - The application of the floating spherical Gaussian orbital (FSGO) method to the determination of band structures of regular polymers is described. Related computational problems are discussed.

AB - The application of the floating spherical Gaussian orbital (FSGO) method to the determination of band structures of regular polymers is described. Related computational problems are discussed.

U2 - 10.1002/qua.560100810

DO - 10.1002/qua.560100810

M3 - Article

SN - 0020-7608

VL - S10

SP - 99

EP - 105

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

ER -

A floating spherical gaussian orbital model for polymers: I. General formalism and computational procedures

Résumé

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