Interatomic potentials in condensed matter via the maximum-entropy principle
- 7 September 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 59 (10) , 1108-1111
- https://doi.org/10.1103/physrevlett.59.1108
Abstract
A general method is described for the calculation of interatomic potentials in condensed-matter systems by use of a maximum-entropy Ansatz for the interatomic correlation functions. The interatomic potentials are given explicitly in terms of statistical correlation functions involving the potential energy and the structure factor of a ‘‘reference medium.’’ Illustrations are given for Al-Cu alloys and a model transition metal.Keywords
This publication has 14 references indexed in Scilit:
- The determination of atomic interaction energies in solid solutions from short range order coefficients—an inverse monte-carlo methodActa Metallurgica, 1987
- Effective interatomic potentials in strong-scattering open shell metals: application to bonding force in d-band metalsJournal of Physics F: Metal Physics, 1986
- Maximum-entropy method for electronic properties of alloysPhysical Review B, 1986
- General Theory of Inhomogeneous Systems, Based on Maximum EntropyPhysical Review Letters, 1986
- Critical evaluation of low-order moment expansions for the bonding energy of lattices and defectsPhysical Review B, 1985
- Information-theoretic approach to high-temperature spin dynamicsPhysical Review B, 1985
- Maximum entropy in the problem of momentsJournal of Mathematical Physics, 1984
- Effective interatomic forces in liquid metals: General formulation and effective medium approximationPhysics Letters A, 1984
- Cohesive properties of metallic compounds: Augmented-spherical-wave calculationsPhysical Review B, 1979
- Information Theory and Statistical MechanicsPhysical Review B, 1957