H2_sto3g.txt

UNB Dataverse 2026 Dataset Open access

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Authors: Amir Ayati, Hugh G. A. Burton, Patrick Bultinck, Stijn De Baerdemacker
DOI: 10.25545/f4uvvf/tjsj5h
Cited by: 0

Abstract

The orbital coefficient matrices for c-UHF states of H2/sto-3g at bond lengths of range(1.00, 4.00, 0.5) a_0 with spin expectation values of range(0.00, 1.00, 0.01)

Publication details

Journal / source
UNB Dataverse
Publication date
1 January 2026
Document type
Dataset