Helmholtz free energy of an anharmonic crystal to. II
- 15 October 1974
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 10 (8) , 3660-3666
- https://doi.org/10.1103/physrevb.10.3660
Abstract
Numerical calculations of the Helmholtz free energy to and from all the diagrams have been carried out in the high-temperature limit without making the leading-term approximation for a monatomic face-centered cubic crystal with nearest-neighbor central-force interactions. The numbers obtained for some diagrams and the total can differ by as much as 47 and 33%, respectively from those obtained in the leading term approximation, indicating that this approximation is not very good as far as absolute magnitudes are concerned. However, the ratio is nearly the same as in the leading-term approximation, indicating that the convergence of the perturbation expansion is satisfactory up to one third of the melting temperature. Finally, the improved-self-consistent (ISC) scheme of selecting the most important diagrams is probably as good as doing perturbation theory to order .
Keywords
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