Title of article :
Local MP2 periodic study of rare-gas crystals
Author/Authors :
Halo، نويسنده , , Migen and Casassa، نويسنده , , Silvia and Maschio، نويسنده , , Lorenzo and Pisani، نويسنده , , Cesare، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2009
Pages :
5
From page :
294
To page :
298
Abstract :
The Cryscor code, a computational tool which solves the second-order Møller–Plesset local equations for periodic systems, is applied to fcc rare-gas crystals Ne through Xe. Cohesive energies, equilibrium lattice parameters and bulk moduli are calculated; DFT calculations have been performed for purposes of comparison.
Journal title :
Chemical Physics Letters
Serial Year :
2009
Journal title :
Chemical Physics Letters
Record number :
1925476
Link To Document :
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