NASA NTRS · 20020073519
Correlation Consistent Basis Sets for In
Abstract
Correlation consistent basis sets are developed for a 13 electron correlation treatment of In atom. The basis sets are used in all-electron (AE) and effective core potential (ECP) calculations. The atomization energies of InCl and InCl3 are used as a test of the basis set. The results are extrapolated to the complete basis set (CBS) limit. The AE and ECP CCSD(T) CBS values are in very good mutal when the AE values are corrected for scalar relativistic effects. The best computed values are in good agreement with experiment.
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Bauschlicher, Charles W., Jr., Arnold, James O.. 1999-01-01. Correlation Consistent Basis Sets for In. https://ntrs.nasa.gov/citations/20020073519
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