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Titolo:
ROLE OF ELECTRONIC CORRELATION ON THE EQUATION OF STATE OF LITHIUM HYDRIDES
Autore:
BELLAICHE L; BESSON JM; KUNC K; LEVY B;
Indirizzi:
RUTGERS STATE UNIV,DEPT PHYS & ASTRON,POB 849 PISCATAWAY NJ 08855 UNIV PARIS 06,CNRS,LAB PHYS MILIEUX CONDENSES F-75252 PARIS 05 FRANCE UNIV PARIS 06,CNRS,LAB OPT SOLIDES F-75252 PARIS 05 FRANCE UNIV PARIS 11,LAB PHYSICOCHIM RAYONNEMENTS F-91405 ORSAY FRANCE
Titolo Testata:
Physical review letters
fascicolo: 25, volume: 80, anno: 1998,
pagine: 5576 - 5579
SICI:
0031-9007(1998)80:25<5576:ROECOT>2.0.ZU;2-L
Fonte:
ISI
Lingua:
ENG
Soggetto:
HIGH-PRESSURE; DIFFRACTION; SYSTEMS; LIH;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
26
Recensione:
Indirizzi per estratti:
Citazione:
L. Bellaiche et al., "ROLE OF ELECTRONIC CORRELATION ON THE EQUATION OF STATE OF LITHIUM HYDRIDES", Physical review letters, 80(25), 1998, pp. 5576-5579

Abstract

Three all-electron calculations of the relative P(V) equation of state (EOS) of LIH and LID are presented: (1) Hartree-Fock, (2) local density approximation (LDA) using the Ceperley-Alder expression for correlation, and (3) LDA using the Wigner expression for correlation. The results agree within 1% up to 10 GPa with the experimental values, implying that the relative EOS in lithium hydrides depends only weakly on the electronic correlation. The possibility of cancellation of errors with the LDA is discussed.

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Documento generato il 01/04/20 alle ore 17:34:15