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Third‐order contribution to the energy and the elastic constants of simple metals
Author(s) -
Benckert S.
Publication year - 1975
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220690220
Subject(s) - third order , pseudopotential , simple (philosophy) , order (exchange) , perturbation theory (quantum mechanics) , energy (signal processing) , perturbation (astronomy) , physics , statistical physics , quantum mechanics , philosophy , theology , epistemology , finance , economics
The energy of a metal is usually calculated by second‐order perturbation theory in the pseudopotential. It is, however, also possible to calculate the third‐order contribution. This contribution is calculated to the energy and the elastic constants of Al and Na using two different types of local model potentials in order to see how the choice of the potential will influence the magnitude of the third‐order contributions.