Bulletin of the Korean Chemical Society

  • 제20권11호
  • /
  • Pages.1288-1294
  • /
  • 1999
  • /
  • 0253-2964(pISSN)
  • /
  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
권호 표지
DOI QR코드

DOI QR Code

Study of the Compressed and Expanded Liquid Rubidium with the Optimized Nonlocal Model Potential

  • 발행 : 1999.11.20
PDF 다운로드
⟨ 이전 논문 다음 논문 ⟩

초록

We show that Shaw's optimized nonlocal model potential (OMP) in combination with the perturbative hyper-netted-chain equation for pair correlation functions can be successfully applied to predict pair structures of compressed and expanded liquid rubidium. For compressed rubidium, it is possible to apply the OMP to a state for which the model radius is even close to the Wigner-Seitz radius. In addition, our results are parallel to those from Chihara and Kahl's quantal hypernetted-chain equation in that it supports the uniform compression model up to 6.1 GPa. Calculation also shows that the pair structure is relatively insensitive to the choice of the exchange-correlation function for the electron liquid. Discussions are also given for compressed and expanded cesium.

키워드

참고문헌

  1. Phys. Rev. B v.60 Kang, H. S.
  2. Phys. Rev. v.174 Shaw, R. W.
  3. J. Phys. C v.2 Shaw, R. W.
  4. J. PHys. C v.3 Shaw, R. W.
  5. J. Chem. Phys. v.103 Kang, H. S.;Ree, F. H.
  6. J. Chem. Phys. v.103 Kang, H. S.;Ree, F. H.
  7. Phys. Rev. E v.57 Kang, H. S.;Ree, F. H.
  8. J. Phys.: Condens. Matter v.8 Hoshino, K.;Shimojo, F.
  9. Phys. Rev. B v.55 Shimojo, F.;Zempo, Y.;Hoshino, K.;Watabe, M.
  10. Phys. Rev. B v.58 Chihara, J.;Kahl, G.
  11. J. Non-Cryst. Solids v.117-118 Gonzalez, D. J.;Ng, D. A.;Silbert, M.
  12. J. Phys.; Condens. Matter v.3 Matsude, N.;Mori, H.;Hoshino, K.;Watabe, M.
  13. J. Non-Cryst. Solids v.156-158 Jakse, N.;Bretonnet, J. L.
  14. Phys. Rev. E v.49 Chen, H. C.;Lai, S. K.
  15. Phys. Rev. B v.52 Shimojo, F.;Zempo, Y.
  16. Phys. Rev. B v.24 Ichimaru, S.;Utsumi, K.
  17. Phys. Rev. Lett. v.75 Moroni, S.;Ceperley, D. M.;Senatore, G.
  18. J. Non-Cryst. Solids v.205-207 Senator, G.;Moroni, S.;Ceperley, D. M.
  19. Philos. Mag. v.12 Animalu, A. O. E.;Henie, V.
  20. Can. J. Phys. v.54 Cowley, E. R.
  21. Can. J. Phys. v.49 Ballentine, L. E.;Gupta, O. P.
  22. Mol. Phys. v.59 Ballone, P.;Pastore, G.;Galli, G.;gazzillo, D.
  23. J. Non-Cryst. Solids v.205-207 Tsuji, K.;Katayama, Y.;Morimoto, Y.;Shimomura, O.
  24. The core radius (=2.82Å) was taken from Table 4 of Ref. 18, which was deduced from the lattice spacing of ionic crystals
  25. J. Phys. (Paris) v.41 Franz, G.;Freyland, W.;Glazer, W.;Hensel, F.;Schneider, E.
  26. J. Non-Cryst. Solids v.117-118 Tsuji, K.;Yaoita, K.;Imai, M.;Mittamura, T.;Kikegawa, T.
  27. Phys. Rev. B v.30 Moriarty, J. A.;Young, D. A.;Ross, M.
  28. Phys. Rev. B v.55 Kuchhal, P.;Kumar, R.;Daas, N.