R Gaudoin et al 2002 J. Phys.: Condens. Matter 14 8787 doi:10.1088/0953-8984/14/38/303
R Gaudoin1, W M C Foulkes1 and G Rajagopal2,3
Show affiliationsTo date there have been few attempts to calculate bulk properties such as the cohesive energy or the bulk modulus of metals using Monte Carlo (MC) methods. We present a variational MC calculation for aluminium and find that methods used to deal with finite-size effects work just as well as for insulators, despite the presence of a Fermi surface. However, the large statistical uncertainties are a problem when evaluating the bulk modulus.
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 38 (30 September 2002)
Received 3 July 2002
Published 12 September 2002
R Gaudoin et al 2002 J. Phys.: Condens. Matter 14 8787
A M Stoneham et al 2002 J. Phys.: Condens. Matter 14 9877
C Géronimi et al 2001 J. Phys. A: Math. Gen. 34 10109
Y Ozeki and H Nishimori 1993 J. Phys. A: Math. Gen. 26 3399
O Céspedes et al 2004 J. Phys.: Condens. Matter 16 L155
R L Becker and A D MacKellar 1984 J. Phys. B: At. Mol. Phys. 17 3923
Julien Oster et al 2009 Physiol. Meas. 30 1381
Heinz-Peter Breuer 2006 J. Phys. A: Math. Gen. 39 11847
H Saint-Guirons and P Xans 1981 J. Phys. E: Sci. Instrum. 14 1332
A S Kheifets 2007 J. Phys. B: At. Mol. Opt. Phys. 40 F313