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
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