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Dataset . 2023
License: CC BY
Data sources: Datacite
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ZENODO
Dataset . 2023
License: CC BY
Data sources: ZENODO
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ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
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Dyall double-zeta, triple-zeta, and quadruple-zeta basis set archive files

Authors: Dyall, Kenneth G;

Dyall double-zeta, triple-zeta, and quadruple-zeta basis set archive files

Abstract

This archive contains the archive files of the Dyall basis sets for each basis set level (dz, tz, qz) for all blocks of the periodic table from 1s to 7p. Each file is a plain text file that contains a description of the basis set development and recommended use, the atomic orbitals for the reference configuration with the exponents, and lists of correlating, polarization, and diffuse functions. The exponents, in the Dirac program format, are given in a separate location, https://doi.org/10.5281/zenodo.7574628; the reference list is also given at this location.

Keywords

relativistic, basis set

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selected citations
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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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