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Ab initio calculations of the cohesive energy and the bulk modulus of aluminium
| Content Provider | Semantic Scholar |
|---|---|
| Author | Gaudoin, R. Foulkes, W. Matthew C. Rajagopal, Gunaretnam |
| Copyright Year | 2002 |
| Abstract | To 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. |
| Starting Page | 8787 |
| Ending Page | 8793 |
| Page Count | 7 |
| File Format | PDF HTM / HTML |
| DOI | 10.1088/0953-8984/14/38/303 |
| Volume Number | 14 |
| Alternate Webpage(s) | https://spiral.imperial.ac.uk:8443/bitstream/10044/1/871/1/Ab%20initio%20calculations%20of%20the%20cohesive.pdf |
| Alternate Webpage(s) | https://doi.org/10.1088/0953-8984%2F14%2F38%2F303 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
