메뉴 건너뛰기




Volumn 57, Issue 4, 1996, Pages 655-662

Static and dynamic density functional investigation of hydrated beryllium dications

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001472810     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-461x(1996)57:4<655::aid-qua12>3.0.co;2-%23     Document Type: Article
Times cited : (23)

References (35)
  • 5
    • 0542436236 scopus 로고
    • M. E. Tuckerman, K. Laasonen, M. Sprik, and M. Parrinello, J. Phys.: Condens. Mat. 6, A 93 (1994); J. Phys. Chem. 99, 5749 (1995); J. Chem. Phys. (in preparation).
    • (1995) J. Phys. Chem. , vol.99 , pp. 5749
  • 6
    • 0028766439 scopus 로고    scopus 로고
    • M. E. Tuckerman, K. Laasonen, M. Sprik, and M. Parrinello, J. Phys.: Condens. Mat. 6, A 93 (1994); J. Phys. Chem. 99, 5749 (1995); J. Chem. Phys. (in preparation).
    • J. Chem. Phys. (in Preparation)
  • 11
    • 85080578089 scopus 로고    scopus 로고
    • private communication of unpublished data
    • M. M. Probst, private communication of unpublished data.
    • Probst, M.M.1
  • 12
    • 84947362301 scopus 로고
    • D. K. Remler and P. A. Madden, Mol. Phys. 70, 921 (1990); G. Galli and M. Parrinello, in Computer Simulations in Materials Science, M. Meyer and V. Pontikis, Eds. (Kluwer, Dordrecht, 1991); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992); especially, the density functional aspect reviewed by R. O. Jones and O. Gunnarson, Rev. Mod. Phys. 61, 689 (1989).
    • (1990) Mol. Phys. , vol.70 , pp. 921
    • Remler, D.K.1    Madden, P.A.2
  • 13
    • 84947362301 scopus 로고
    • M. Meyer and V. Pontikis, Eds. Kluwer, Dordrecht
    • D. K. Remler and P. A. Madden, Mol. Phys. 70, 921 (1990); G. Galli and M. Parrinello, in Computer Simulations in Materials Science, M. Meyer and V. Pontikis, Eds. (Kluwer, Dordrecht, 1991); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992); especially, the density functional aspect reviewed by R. O. Jones and O. Gunnarson, Rev. Mod. Phys. 61, 689 (1989).
    • (1991) Computer Simulations in Materials Science
    • Galli, G.1    Parrinello, M.2
  • 14
    • 11944256577 scopus 로고
    • D. K. Remler and P. A. Madden, Mol. Phys. 70, 921 (1990); G. Galli and M. Parrinello, in Computer Simulations in Materials Science, M. Meyer and V. Pontikis, Eds. (Kluwer, Dordrecht, 1991); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992); especially, the density functional aspect reviewed by R. O. Jones and O. Gunnarson, Rev. Mod. Phys. 61, 689 (1989).
    • (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
    • Payne, M.C.1    Teter, M.P.2    Allan, D.C.3    Arias, T.A.4    Joannopoulos, J.D.5
  • 15
    • 51149210200 scopus 로고
    • D. K. Remler and P. A. Madden, Mol. Phys. 70, 921 (1990); G. Galli and M. Parrinello, in Computer Simulations in Materials Science, M. Meyer and V. Pontikis, Eds. (Kluwer, Dordrecht, 1991); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992); especially, the density functional aspect reviewed by R. O. Jones and O. Gunnarson, Rev. Mod. Phys. 61, 689 (1989).
    • (1989) Rev. Mod. Phys. , vol.61 , pp. 689
    • Jones, R.O.1    Gunnarson, O.2
  • 19
    • 0000029348 scopus 로고
    • K. Laasonen, F. Csajka, and M. Parrinello, Chem. Phys. Lett. 194, 172 (1992); K. Laasonen, M. Parrinello, R. Car, Ch. Lee, and D. Vanderbilt, Chem. Phys. Lett. 207, 208 (1993).
    • (1992) Chem. Phys. Lett. , vol.194 , pp. 172
    • Laasonen, K.1    Csajka, F.2    Parrinello, M.3
  • 22
    • 4243553426 scopus 로고
    • A. Becke, Phys. Rev. A 38, 3098 (1988); Ibid., J. Chem. Phys. 96, 2155 (1992).
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.1
  • 23
    • 77956779984 scopus 로고
    • A. Becke, Phys. Rev. A 38, 3098 (1988); Ibid., J. Chem. Phys. 96, 2155 (1992).
    • (1992) J. Chem. Phys. , vol.96 , pp. 2155
    • Becke, A.1
  • 25
    • 0000432120 scopus 로고
    • R. W. Hockney, Methods Comput. Phys. 9, 136 (1970); J. W. Eastwood and D. R. K. Brownrigg, J. Comput. Phys. 32, 24 (1979).
    • (1970) Methods Comput. Phys. , vol.9 , pp. 136
    • Hockney, R.W.1
  • 30
    • 0002980029 scopus 로고
    • P. Margl, K. Schwarz, and P. E. Blöchl, J. Chem. Phys. 100, 8194 (1994); the renormalization of the atomic masses is discussed in sect. V.C.2 of P. E. Blöchl, Phys. Rev. B 50, 17953 (1994).
    • (1994) J. Chem. Phys. , vol.100 , pp. 8194
    • Margl, P.1    Schwarz, K.2    Blöchl, P.E.3
  • 31
    • 25744460922 scopus 로고
    • P. Margl, K. Schwarz, and P. E. Blöchl, J. Chem. Phys. 100, 8194 (1994); the renormalization of the atomic masses is discussed in sect. V.C.2 of P. E. Blöchl, Phys. Rev. B 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.