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Volumn 58, Issue 2, 1998, Pages 2227-2236

Nonlocal pseudopotential calculation for the electron-ion correlation in liquid metals

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EID: 11644297963     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.58.2227     Document Type: Article
Times cited : (12)

References (53)
  • 20
    • 84996157099 scopus 로고
    • Note that the dielectric function given in this work should be more correctly referred to the proton dielectric function [V. Heine and I. Abarenkov, Philos. Mag. 9, 451 (1964)].PHMAA4
    • (1964) Philos. Mag. , vol.9 , pp. 451
    • Heine, V.1    Abarenkov, I.2
  • 23
    • 11644277467 scopus 로고
    • To ensure the validity of the linear response approximation, we have here given a proper attention to the higher than second order corrections in our perturbation theory. Within the context of the generalized energy independent nonlocal model pseudopotential theory (Ref. 16 below), this can be achieved by a unitary transformation of the pseudowave function, which, through the matrix element of the electron-ion pseudopotential, will fold back the third and higher order contributions to the one-electron energy via a model potential parameter β. Thus although the forms of the one-electron energy and wave function are the same as in the usual perturbation theory, the physical content of them is not the same. This procedure of incorporating many-body effects has been compared with standard direct third order perturbation calculations [C. M. Bertoni, V. Bortolani, G. Caglioti, K. R. Rao and A. D. B. Woods, Phys. Rev. 128, 1099 (1962)
    • (1962) Phys. Rev. , vol.128 , pp. 1099
    • Bertoni, C.M.1    Bortolani, V.2    Caglioti, G.3    Rao, K.R.4    Woods, A.D.B.5
  • 24
    • 0000711320 scopus 로고
    • ] for the phonon spectra of [Formula Presented] metals. The good agreement of the calculated results with measured values lends great credence to the present perturbation theory. One should be cautious in the use of the linear response approximation when effects of s-d hybridization (such as the alkali earth metals or transition metals) or sp mixing (such as the lithium metal) are important. PLRBAQ
    • L. Dagens, M. Rasolt, and R. Taylor, Phys. Rev. B 11, 2726 (1975)] for the phonon spectra of sp metals. The good agreement of the calculated results with measured values lends great credence to the present perturbation theory. One should be cautious in the use of the linear response approximation when effects of s-d hybridization (such as the alkali earth metals or transition metals) or sp mixing (such as the lithium metal) are important.
    • (1975) Phys. Rev. B , vol.11 , pp. 2726
    • Dagens, L.1    Rasolt, M.2    Taylor, R.3
  • 30
    • 0001632922 scopus 로고
    • Reference [47] in this paper gives a detailed listing of the previous applications. PLRAAN
    • S. K. Lai, Wang Li, and M. P. Tosi, Phys. Rev. A 42, 7289 (1990). Reference [47] in this paper gives a detailed listing of the previous applications.PLRAAN
    • (1990) Phys. Rev. A , vol.42 , pp. 7289
    • Lai, S.K.1    Li, W.2    Tosi, M.P.3
  • 48
    • 85036379868 scopus 로고    scopus 로고
    • We have not attempted to compare the [Formula Presented] since the [Formula Presented] has to be self-consistently determined with the same local pseudopotential. It should not be difficult, however, to see the sensitivity of matching between [Formula Presented] [Formula Presented] that leads to [Formula Presented]
    • We have not attempted to compare the Sei(q) since the Sii(q) has to be self-consistently determined with the same local pseudopotential. It should not be difficult, however, to see the sensitivity of matching between nEC(q) and Sii(q) that leads to Sei(q).
  • 49
    • 0028547243 scopus 로고
    • ] gives numerical evidences for the cases of liquid alkali metal and Al. JCOMEL
    • When compared with the x-ray data, we are in fact assuming a negligible difference in the form factors of neutral atoms and pseudoatoms. Recent work by J. Chihara and S. Kambayashi [J. Phys.: Condens. Matter 6, 10221 (1994)] gives numerical evidences for the cases of liquid alkali metal and Al.JCOMEL
    • (1994) J. Phys.: Condens. Matter , vol.6 , pp. 10221
    • Chihara, J.1    Kambayashi, S.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.