Correlation consistent basis sets for indium

Correlation consistent basis sets are developed for a 13-electron correlati on treatment of indium (In) atom. The basis sets are used in all-electron a nd effective core potential (ECP) calculations. The atomization energies of InCl and InCl3 are used as a test of the basis set. The atomization energi es 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 InCl3. The best computed atomization energies are in good agreement with experiment. (C) 1999 Elsevier Science B.V. All r ights reserved.