Chem. Phys. Lett., 452, 326-332 (2008).
Received 1 September 2007;
accepted 27 December 2007.
Available online 4 January 2008.
We present an orbital-invariant explicitly-correlated coupled-cluster method where we determine the contribution from the geminal pair functions by the known first-order electron coalescence conditions. This method is free from geminal basis set superposition errors and yields quintuple-ζ quality correlation energies using triple-ζ orbital basis sets. (c) 2008 Elsevier B.V. All rights reserved.
*Corresponding author. Fax: +49 721 6083319. E-mail address: klopper@chemi-bio.uni-karlsruhe.de (W. Klopper).View Article: PDF (access restricted to domain theochem.rub.de)
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