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Dataset . 2022
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Dataset . 2022
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Data sources: Datacite
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Dataset . 2022
License: CC BY
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Dataset . 2022
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Dataset . 2022
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Dataset: Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

Research datakeyboard_double_arrow_right Dataset 01 Feb 2022Publisher:Zenodo
Authors: Xiang Yuan; Visscher, Lucas; Severo Pereira Gomes, Andre;

doi: 10.5281/zenodo.5939520 , 10.5281/zenodo.5939521 , 10.5281/zenodo.6467760

Dataset: Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

Abstract

This dataset collects the unprocessed (= outputs from calculations) results discussed in the paper titled "Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations", by Xiang Yuan, Luvas Visscher and Andre Severo Pereira Gomes. It also contains the figures used in the manuscript.

Related Organizations
Keywords

high performance computing, superheavy elements, coupled cluster, MP2 frozen virtual natural orbitals, relativistic electronic structure

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    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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visibility
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
views
OpenAIRE UsageCountsViews provided by UsageCounts
1
Average
Average
Average
8