Author/Authors :
Tew، نويسنده , , David P. and Klopper، نويسنده , , Wim and Hنttig، نويسنده , , Christof، نويسنده ,
Abstract :
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.
