AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON LARGE LATTICE CLUSTER-MODELS - USE OF TRANSLATIONAL SYMMETRY

T A PAKKANEN, J MUILU

Tutkimustuotos: ArtikkelijulkaisuArtikkeliTieteellinenvertaisarvioitu

Alkuperäiskielienglanti
LehtiTheoretical Chemistry Accounts
Vuosikerta86
Sivut285-296
Sivumäärä12
ISSN1432-881X
TilaJulkaistu - 1993
OKM-julkaisutyyppiA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä, vertaisarvioitu

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@article{b29883712d83446091f517a342d83206,
title = "AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON LARGE LATTICE CLUSTER-MODELS - USE OF TRANSLATIONAL SYMMETRY",
keywords = "TRANSLATIONAL SYMMETRY, 2-ELECTRON INTEGRALS, INTEGRAL APPROXIMATION, CLUSTER MODEL, HARTREE, FOCK METHOD, CARTESIAN GAUSSIAN FUNCTIONS, RECURRENCE RELATIONS, CHEMISORPTION THEORY, METALLIC SURFACES, EMBEDDING THEORY, RYS QUADRATURE, ELECTRON, INTEGRALS, COMPUTATION, APPROXIMATIONS",
author = "PAKKANEN, {T A} and J MUILU",
year = "1993",
language = "English",
volume = "86",
pages = "285--296",
journal = "Theoretical Chemistry Accounts",
issn = "1432-881X",
publisher = "Springer",

}

AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON LARGE LATTICE CLUSTER-MODELS - USE OF TRANSLATIONAL SYMMETRY. / PAKKANEN, T A ; MUILU, J .

julkaisussa: Theoretical Chemistry Accounts, Vuosikerta 86, 1993, s. 285-296.

Tutkimustuotos: ArtikkelijulkaisuArtikkeliTieteellinenvertaisarvioitu

TY - JOUR

T1 - AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON LARGE LATTICE CLUSTER-MODELS - USE OF TRANSLATIONAL SYMMETRY

AU - PAKKANEN, T A

AU - MUILU, J

PY - 1993

Y1 - 1993

KW - TRANSLATIONAL SYMMETRY

KW - 2-ELECTRON INTEGRALS

KW - INTEGRAL APPROXIMATION

KW - CLUSTER MODEL

KW - HARTREE

KW - FOCK METHOD

KW - CARTESIAN GAUSSIAN FUNCTIONS

KW - RECURRENCE RELATIONS

KW - CHEMISORPTION THEORY

KW - METALLIC SURFACES

KW - EMBEDDING THEORY

KW - RYS QUADRATURE

KW - ELECTRON

KW - INTEGRALS

KW - COMPUTATION

KW - APPROXIMATIONS

M3 - Article

VL - 86

SP - 285

EP - 296

JO - Theoretical Chemistry Accounts

JF - Theoretical Chemistry Accounts

SN - 1432-881X

ER -