Correlation Consistent Basis Sets and Core Polarization Potentials for Al–Ar with ccECP Pseudopotentials-Reference-Cited by-同舟云学术

Correlation Consistent Basis Sets and Core Polarization Potentials for Al–Ar with ccECP Pseudopotentials

Published:2022-08-17 Issue:34 Volume:126 Page:5853-5863
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Hill Adam N.¹^ORCID,Meijer Anthony J. H. M.¹^ORCID,Hill J. Grant¹^ORCID

Affiliation:

1. Department of Chemistry, University of Sheffield, Sheffield S3 7HF, United Kingdom

Funder

Engineering and Physical Sciences Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c04446

Reference63 articles.

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4. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

5. Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions

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