Toward fully numerical evaluation of momentum space HF wave functions. Numerical experiments on the He atom

Joseph Delhalle; [No Value] DEFRANCESCHI

doi:10.1002/qua.560320742

Toward fully numerical evaluation of momentum space HF wave functions. Numerical experiments on the He atom

Joseph Delhalle, [No Value] DEFRANCESCHI

Unite de recherche en physiologie moleculaire

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

Résumé

Direct evaluation of momentum space Hartree–Fock wave functions require accurate numerical integrations. The purpose of this computer experimentation with the Gauss–Legendre method is to examine the sensitivity of calculated properties on the truncation of the interval of integration for the radial variable.

langue originale	Anglais
Pages (de - à)	425-433
Nombre de pages	9
journal	International Journal of Quantum Chemistry
Volume	32
Numéro de publication	S21
Les DOIs	https://doi.org/10.1002/qua.560320742
Etat de la publication	Publié - 1987

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10.1002/qua.560320742

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title = "Toward fully numerical evaluation of momentum space HF wave functions. Numerical experiments on the He atom",

abstract = "Direct evaluation of momentum space Hartree–Fock wave functions require accurate numerical integrations. The purpose of this computer experimentation with the Gauss–Legendre method is to examine the sensitivity of calculated properties on the truncation of the interval of integration for the radial variable.",

author = "Joseph Delhalle and DEFRANCESCHI, {[No Value]}",

year = "1987",

doi = "10.1002/qua.560320742",

language = "English",

volume = "32",

pages = "425--433",

journal = "International Journal of Quantum Chemistry",

issn = "0020-7608",

publisher = "John Wiley & Sons Inc.",

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T1 - Toward fully numerical evaluation of momentum space HF wave functions. Numerical experiments on the He atom

AU - Delhalle, Joseph

AU - DEFRANCESCHI, [No Value]

PY - 1987

Y1 - 1987

N2 - Direct evaluation of momentum space Hartree–Fock wave functions require accurate numerical integrations. The purpose of this computer experimentation with the Gauss–Legendre method is to examine the sensitivity of calculated properties on the truncation of the interval of integration for the radial variable.

AB - Direct evaluation of momentum space Hartree–Fock wave functions require accurate numerical integrations. The purpose of this computer experimentation with the Gauss–Legendre method is to examine the sensitivity of calculated properties on the truncation of the interval of integration for the radial variable.

U2 - 10.1002/qua.560320742

DO - 10.1002/qua.560320742

M3 - Article

SN - 0020-7608

VL - 32

SP - 425

EP - 433

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - S21

ER -

Toward fully numerical evaluation of momentum space HF wave functions. Numerical experiments on the He atom

Résumé

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