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Ground-state energies of simple metalsA structural expansion for the static ground-state energy of a simple metal is derived. Two methods are presented, one an approach based on single-particle band structure which treats the electron gas as a nonlinear dielectric, the other a more general many-particle analysis using finite-temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi-surface distortions, and chemical-potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron-ion interaction and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero-temperature thermodynamic functions of atomic hydrogen are reported.
Document ID
19740039525
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Hammerberg, J.
Ashcroft, N. W.
(Cornell University Ithaca, N.Y., United States)
Date Acquired
August 7, 2013
Publication Date
January 15, 1974
Publication Information
Publication: Physical Review B - Solid State
Subject Category
Physics, Solid-State
Accession Number
74A22275
Funding Number(s)
CONTRACT_GRANT: NGR-33-010-188
CONTRACT_GRANT: NSF GH-33637
Distribution Limits
Public
Copyright
Other

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