Author/Authors :
Stoll، نويسنده , , Hermann and Paulus، نويسنده , , Beate and Fulde، نويسنده , , Peter، نويسنده ,
Abstract :
Coupled-cluster pair energies calculated for localized orbitals in finite lithium clusters are used for an estimate of the cohesive energy and the lattice constant of the bcc lithium crystal. It is shown that the results converge reasonably fast with cluster size and are of comparable quality with conventional density functional ones for the infinite solid.