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Structural expansions for the ground state energy of a simple metalA structural expansion for the static ground state energy of a simple metal is derived. An approach based on single particle band structure which treats the electron gas as a non-linear dielectric is presented, along with 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
19730013960
Acquisition Source
Legacy CDMS
Document Type
Contractor Report (CR)
Authors
Hammerberg, J.
(Cornell Univ. Ithaca, NY, United States)
Ashcroft, N. W.
(Cornell Univ. Ithaca, NY, United States)
Date Acquired
September 2, 2013
Publication Date
January 1, 1973
Subject Category
Physics, Solid-State
Report/Patent Number
REPT-1943
NASA-CR-131833
Report Number: REPT-1943
Report Number: NASA-CR-131833
Accession Number
73N22687
Funding Number(s)
CONTRACT_GRANT: NGR-33-010-188
CONTRACT_GRANT: NSF GH-33637
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.
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