Abstract
Correlation consistent basis sets are developed for a 13-electron correlation treatment of indium (In) atom. The basis sets are used in all-electron and effective core potential (ECP) calculations. The atomization energies of InCl and InCl 3 are used as a test of the basis set. The atomization energies are extrapolated to the complete basis set (CBS) limit. The all-electron and ECP CCSD(T) CBS atomization energies are in very good mutual agreement when the all-electron values are corrected for scalar relativistic effects, which is 15.1 kcal/mol for InCl 3. The best computed atomization energies are in good agreement with experiment.
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