Title of article :
An incremental coupled-cluster approach to metallic lithium
Author/Authors :
Stoll، نويسنده , , Hermann and Paulus، نويسنده , , Beate and Fulde، نويسنده , , Peter، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2009
Pages :
4
From page :
90
To page :
93
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.
Journal title :
Chemical Physics Letters
Serial Year :
2009
Journal title :
Chemical Physics Letters
Record number :
1925689
Link To Document :
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