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Data · dataset · 1984

Reduced local energy for atomic Hartree-Fock wavefunctions

Listed in Teesside University Research Data Repository

Title of program: REDUCED LOCAL ENERGY FOR ATOMS Catalogue Id: ACCE_v1_0 Nature of problem The reduced local energy (diagonal elements of the reduced local energy 1-matrix) is defined in position space for an n electron system (N>2).

Description

An analogous definition holds in the Hartree-Fock approximation. The program evaluates ELHF(r1), the Hartree-Fock reduced local energy, for atomic systems.

Versions of this program held in the CPC repository in Mendeley Data ACCE_v1_0; REDUCED LOCAL ENERGY FOR ATOMS; 10.1016/0010-4655(84)90073-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Provenance · 1 source records, 12 field assertions
SourceKeyLast seenRaw
Teesside University Research Data Repositoryoai:data.mendeley.com/vpxj4s8xtj.112 d agoJSON v1
FieldAssertionExtractorEvidence
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