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: firstname.lastname@example.org (W. Klopper).
View Article: PDF (access restricted to domain theochem.rub.de)
Back to the list of Publications by the Quantum Chemistry (Hättig) Group