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Volumn 45, Issue 7, 2002, Pages 906-918

Optimum metallic-bond scheme: Theoretical study of geometric structures for ground-state sodium clusters

Author keywords

Clusters; Geometric structures; Metallic bond; Sodium

Indexed keywords


EID: 0346426687     PISSN: 10069283     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (3)

References (23)
  • 1
    • 0011714847 scopus 로고
    • Electronic shell structure and abundances of sodium clusters
    • Knight, W. D., Clemenger K., de Heer W.A. et al., Electronic shell structure and abundances of sodium clusters, Phys. Rev. Lett., 1984, 24: 2141-2143.
    • (1984) Phys. Rev. Lett. , vol.24 , pp. 2141-2143
    • Knight, W.D.1    Clemenger, K.2    De Heer, W.A.3
  • 2
    • 4243088596 scopus 로고
    • Ellipsoidal shell structure in free-electron metal clusters
    • Clemenger, K., Ellipsoidal shell structure in free-electron metal clusters, Phys. Rev. B, 1985, 32: 1359-1362.
    • (1985) Phys. Rev. B , vol.32 , pp. 1359-1362
    • Clemenger, K.1
  • 3
    • 0000235738 scopus 로고
    • Electronic and structural properties of sodium clusters
    • Martins, J. L., Buttet, J. Car, R., Electronic and structural properties of sodium clusters, Phys. Rev. B, 1985, 31: 1804-1816.
    • (1985) Phys. Rev. B , vol.31 , pp. 1804-1816
    • Martins, J.L.1    Buttet, J.2    Car, R.3
  • 4
    • 33750664524 scopus 로고
    • Systematic ab initio configuration-interaction study of alkali-metal clusters
    • Bonačić-Koutecký, V., Fantucci, P., Koutecký, J., Systematic ab initio configuration-interaction study of alkali-metal clusters, Phys. Rev. B, 1988, 37: 4369-4374.
    • (1988) Phys. Rev. B , vol.37 , pp. 4369-4374
    • Bonačić-Koutecký, V.1    Fantucci, P.2    Koutecký, J.3
  • 6
    • 5344273674 scopus 로고
    • Observation of electronic shells and shells of atoms in large Na clusters
    • Martin, T. P., Bergmann, T., Göehlich, H. et al., Observation of electronic shells and shells of atoms in large Na clusters, Chem. Phys. Lett., 1990, 172: 209-213.
    • (1990) Chem. Phys. Lett. , vol.172 , pp. 209-213
    • Martin, T.P.1    Bergmann, T.2    Göehlich, H.3
  • 7
    • 0030210784 scopus 로고    scopus 로고
    • Shells of atoms
    • Martin, T. P., Shells of atoms, Phys. Rep., 1996, 273: 199-241.
    • (1996) Phys. Rep. , vol.273 , pp. 199-241
    • Martin, T.P.1
  • 9
    • 0007076481 scopus 로고
    • Structural and electronic properties of sodium microclusters (n = 2-20) at low and high temperatures: New insights from ab initio molecular dynamics studies
    • Röthlisberger, U., Andreoni, W., Structural and electronic properties of sodium microclusters (n = 2-20) at low and high temperatures: New insights from ab initio molecular dynamics studies, J. Chem. Phys., 1991, 94: 8129-8151.
    • (1991) J. Chem. Phys. , vol.94 , pp. 8129-8151
    • Röthlisberger, U.1    Andreoni, W.2
  • 12
    • 0033421479 scopus 로고    scopus 로고
    • Theoretical study of Na clusters by first principle molecular dynamics calculations
    • Su, C. R., Zhu, J., Yang, J. L. et al., Theoretical study of Na clusters by first principle molecular dynamics calculations, Chin. Phys. Lett., 1999, 16: 262-263.
    • (1999) Chin. Phys. Lett. , vol.16 , pp. 262-263
    • Su, C.R.1    Zhu, J.2    Yang, J.L.3
  • 13
    • 0031362068 scopus 로고    scopus 로고
    • Density-functional theory calculations for poly-atomic systems: Electronic structure, static and elastic properties and ab initio molecular dynamics
    • Bockstedte, M., Kley, A., Neugebauer, J. et al., Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics, Comp. Phys. Comm., 1997, 107: 187-222.
    • (1997) Comp. Phys. Comm. , vol.107 , pp. 187-222
    • Bockstedte, M.1    Kley, A.2    Neugebauer, J.3
  • 14
    • 0001489865 scopus 로고
    • Molecular geometry optimization with a genetic algorithm
    • Deaven, D. M., Ho, K. M., Molecular geometry optimization with a genetic algorithm, Phys. Rev. Lett., 1995, 75: 288-291.
    • (1995) Phys. Rev. Lett. , vol.75 , pp. 288-291
    • Deaven, D.M.1    Ho, K.M.2
  • 15
    • 0034228002 scopus 로고    scopus 로고
    • First-principles study of the adsorption of atomic H on Ni(111), (100) and (110)
    • Kresse, G., Hafner, J., First-principles study of the adsorption of atomic H on Ni(111), (100) and (110), Surface Science, 2000, 459: 287-302.
    • (2000) Surface Science , vol.459 , pp. 287-302
    • Kresse, G.1    Hafner, J.2
  • 16
    • 4243606192 scopus 로고
    • Unified approach for molecular dynamics and density-functional theory
    • Car, R., Parrinello, M., Unified approach for molecular dynamics and density-functional theory, Phys. Rev. Lett., 1985, 55: 2471-2474.
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471-2474
    • Car, R.1    Parrinello, M.2
  • 17
    • 0033235339 scopus 로고    scopus 로고
    • Nobel lecture: Electonic structure of matter - Wave functions and density functionals
    • Kohn, W., Nobel lecture: electonic structure of matter - wave functions and density functionals, Rev. Mod. Phys., 1999, 71: 1253-1266.
    • (1999) Rev. Mod. Phys. , vol.71 , pp. 1253-1266
    • Kohn, W.1
  • 18
    • 33744691386 scopus 로고
    • Ground state of the electron gas by a stochastic method
    • Ceperler, D. M., Alder, B. J., Ground state of the electron gas by a stochastic method, Phys. Rev. Lett., 1980, 45: 566-569.
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566-569
    • Ceperler, D.M.1    Alder, B.J.2
  • 19
    • 26144450583 scopus 로고
    • Self-interaction correction to density-functional approximations for many-electron systems
    • Perdew, J. P., Zunger, A., Self-interaction correction to density-functional approximations for many-electron systems, Phys. Rev. B, 1981, 23: 5048-5079.
    • (1981) Phys. Rev. b , vol.23 , pp. 5048-5079
    • Perdew, J.P.1    Zunger, A.2
  • 20
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • Becke, A. D., Density-functional exchange-energy approximation with correct asymptotic behavior, Phys. Rev. A, 1988, 38: 3098-3100.
    • (1988) Phys. Rev. a , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 21
    • 5944261746 scopus 로고
    • Density-functional approximation for the correlation energy of the inhomogeneous electron gas
    • Perdew, J. P., Density-functional approximation for the correlation energy of the inhomogeneous electron gas, Phys. Rev. B, 1986, 33: 8822-8824.
    • (1986) Phys. Rev. b , vol.33 , pp. 8822-8824
    • Perdew, J.P.1
  • 22
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • Lee, C., Yang, W., Parr, R. G., Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density, Phys. Rev. B, 1988, 37: 785-789.
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 23
    • 0033148229 scopus 로고    scopus 로고
    • Ab initio pesudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
    • Fuchs, M., Scheffler, M., Ab initio pesudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory, Comp. Phys. Comm., 1999, 119: 67-98.
    • (1999) Comp. Phys. Comm. , vol.119 , pp. 67-98
    • Fuchs, M.1    Scheffler, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.