Error-consistent segmented contracted all-electron relativistic basis sets of double- and triple-zeta quality for NMR shielding constants
Author:
Affiliation:
1. Karlsruhe Institute of Technology (KIT)
2. Institute of Physical Chemistry
3. 76131 Karlsruhe
4. Germany
5. Institute of Nanotechnology
6. 76344 Karlsruhe
Abstract
We present property-tailored all-electron relativistic Karlsruhe basis sets for the elements hydrogen to radon.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP02382H
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