Published February 5, 2023
| Version v1
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Dyall double-zeta, triple-zeta, and quadruple-zeta basis set archive files
Description
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.
Files
archives.zip
Files
(4.7 MB)
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