메뉴 건너뛰기




Volumn 217, Issue 1, 2000, Pages 335-356

Linear scaling ab initio calculations in nanoscale materials with SIESTA

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0034339385     PISSN: 03701972     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3951(200001)217:1<335::AID-PSSB335>3.3.CO;2-Q     Document Type: Article
Times cited : (114)

References (101)
  • 4
    • 0001102705 scopus 로고    scopus 로고
    • P. ORDEJÓN, Comp. Mater. Sci. 12, 157 (1998). S. GOEDECKER, Rev. Mod. Phys. 71, 1085 (1999).
    • (1998) Comp. Mater. Sci. , vol.12 , pp. 157
    • Ordejón, P.1
  • 5
    • 0033246389 scopus 로고    scopus 로고
    • P. ORDEJÓN, Comp. Mater. Sci. 12, 157 (1998). S. GOEDECKER, Rev. Mod. Phys. 71, 1085 (1999).
    • (1999) Rev. Mod. Phys. , vol.71 , pp. 1085
    • Goedecker, S.1
  • 18
    • 0003718311 scopus 로고
    • Elsevier Sci. Publ. Co., Amsterdam
    • S. HUZINAGA et. al., Gaussian Basis Sets for Molecular Calculations, Elsevier Sci. Publ. Co., Amsterdam 1984. R. POIRIER, R. KARI, and R. CSIZMADIA, Handbook of Gaussian Basis Sets, Elsevier Sci. Publ. Co., Amsterdam 1985, and references therein.
    • (1984) Gaussian Basis Sets for Molecular Calculations
    • Huzinaga, S.1
  • 19
    • 0003964564 scopus 로고
    • Elsevier Sci. Publ. Co., Amsterdam and references therein
    • S. HUZINAGA et. al., Gaussian Basis Sets for Molecular Calculations, Elsevier Sci. Publ. Co., Amsterdam 1984. R. POIRIER, R. KARI, and R. CSIZMADIA, Handbook of Gaussian Basis Sets, Elsevier Sci. Publ. Co., Amsterdam 1985, and references therein.
    • (1985) Handbook of Gaussian Basis Sets
    • Poirier, R.1    Kari, R.2    Csizmadia, R.3
  • 24
    • 0342819025 scopus 로고
    • S. IIJIMA, Nature 354, 56 (1991).
    • (1991) Nature , vol.354 , pp. 56
    • Iijima, S.1
  • 25
    • 0027125463 scopus 로고
    • D. UGARTE, Nature 359, 707 (1992).
    • (1992) Nature , vol.359 , pp. 707
    • Ugarte, D.1
  • 26
    • 0000945547 scopus 로고
    • J. TERSOFF, Phys. Rev. B 46, 15546 (1992). T. A. WITTEN and H. LI, Europhys. Lett. 23, 51 (1993).
    • (1992) Phys. Rev. B , vol.46 , pp. 15546
    • Tersoff, J.1
  • 27
  • 29
    • 0000500533 scopus 로고
    • D. YORK, J. P. LU, and W. YANG, Phys. Rev. B 49 8526 (1994). J. P. LU and W. YANG, Phys. Rev. B 49, 11421 (1994).
    • (1994) Phys. Rev. B , vol.49 , pp. 8526
    • York, D.1    Lu, J.P.2    Yang, W.3
  • 30
    • 17044404381 scopus 로고
    • D. YORK, J. P. LU, and W. YANG, Phys. Rev. B 49 8526 (1994). J. P. LU and W. YANG, Phys. Rev. B 49, 11421 (1994).
    • (1994) Phys. Rev. B , vol.49 , pp. 11421
    • Lu, J.P.1    Yang, W.2
  • 59
    • 4243513229 scopus 로고
    • J. I. PASCUAL, Phys. Rev. Lett. 71, 1852 (1993); Science 267, 1793 (1995). N. AGRAÏT, J. G. Rodrigo, and S. VIEIRA, Phys. Rev. B 47, 12345 (1993). N. AGRAÏT, G. Rubio, and S. VIEIRA, Phys. Rev. Lett. 74, 3995 (1994).
    • (1993) Phys. Rev. Lett. , vol.71 , pp. 1852
    • Pascual, J.I.1
  • 60
    • 0029277951 scopus 로고
    • J. I. PASCUAL, Phys. Rev. Lett. 71, 1852 (1993); Science 267, 1793 (1995). N. AGRAÏT, J. G. Rodrigo, and S. VIEIRA, Phys. Rev. B 47, 12345 (1993). N. AGRAÏT, G. Rubio, and S. VIEIRA, Phys. Rev. Lett. 74, 3995 (1994).
    • (1995) Science , vol.267 , pp. 1793
  • 61
    • 35949007525 scopus 로고
    • J. I. PASCUAL, Phys. Rev. Lett. 71, 1852 (1993); Science 267, 1793 (1995). N. AGRAÏT, J. G. Rodrigo, and S. VIEIRA, Phys. Rev. B 47, 12345 (1993). N. AGRAÏT, G. Rubio, and S. VIEIRA, Phys. Rev. Lett. 74, 3995 (1994).
    • (1993) Phys. Rev. B , vol.47 , pp. 12345
    • Agraït, N.1    Rodrigo, J.G.2    Vieira, S.3
  • 62
    • 4243590112 scopus 로고
    • J. I. PASCUAL, Phys. Rev. Lett. 71, 1852 (1993); Science 267, 1793 (1995). N. AGRAÏT, J. G. Rodrigo, and S. VIEIRA, Phys. Rev. B 47, 12345 (1993). N. AGRAÏT, G. Rubio, and S. VIEIRA, Phys. Rev. Lett. 74, 3995 (1994).
    • (1994) Phys. Rev. Lett. , vol.74 , pp. 3995
    • Agraït, N.1    Rubio, G.2    Vieira, S.3
  • 64
    • 0029326440 scopus 로고
    • C. J. MULLER, J. M. VAN RUITENBEEK, and L. J. DE JONGH, Phys. Rev. Lett. 69, 140 (1992). J. M. KRANS et al., Nature 375, 767 (1995). E. SCHEER, Nature 394, 154 (1998).
    • (1995) Nature , vol.375 , pp. 767
    • Krans, J.M.1
  • 65
    • 0032500145 scopus 로고    scopus 로고
    • C. J. MULLER, J. M. VAN RUITENBEEK, and L. J. DE JONGH, Phys. Rev. Lett. 69, 140 (1992). J. M. KRANS et al., Nature 375, 767 (1995). E. SCHEER, Nature 394, 154 (1998).
    • (1998) Nature , vol.394 , pp. 154
    • Scheer, E.1
  • 67
    • 0032558717 scopus 로고    scopus 로고
    • H. OHNISHI, Y. KONDO, and K. TAKAYANAGI, Nature 395, 780 (1998). A. I. YANSON, G. RUBIO BOLLINGER, H. E. VAN DEN BROM, N. AGRAÏT, and J. M. VAN RUITENBEEK, Mature 395, 783 (1998).
    • (1998) Nature , vol.395 , pp. 780
    • Ohnishi, H.1    Kondo, Y.2    Takayanagi, K.3
  • 73
    • 0000687583 scopus 로고    scopus 로고
    • V. S. STEPANYUK, W. HERGERT, P. RENNERT, K. WILDBERGER, R. ZELLER, and P. H. DEDERICHS, Phys. Rev. B 59, 1681 (1999). P. RENNERT, V. S. STEPANYUK, W. HERGERT, J. IZQUIERDO, A. VEGA, and L. C. BALBÁS, Advances in Science and Technology, Vol. 19, Surface and Near-Surface Analysis of Materials, Ed. P. VINCENCINI and S. VALERI, Techna Srl, 1999 (pp. 29 to 36).
    • (1999) Phys. Rev. B , vol.59 , pp. 1681
    • Stepanyuk, V.S.1    Hergert, W.2    Rennert, P.3    Wildberger, K.4    Zeller, R.5    Dederichs, P.H.6
  • 74
    • 0000687583 scopus 로고    scopus 로고
    • Advances in science and technology
    • Ed. P. VINCENCINI and S. VALERI, Techna Srl
    • V. S. STEPANYUK, W. HERGERT, P. RENNERT, K. WILDBERGER, R. ZELLER, and P. H. DEDERICHS, Phys. Rev. B 59, 1681 (1999). P. RENNERT, V. S. STEPANYUK, W. HERGERT, J. IZQUIERDO, A. VEGA, and L. C. BALBÁS, Advances in Science and Technology, Vol. 19, Surface and Near-Surface Analysis of Materials, Ed. P. VINCENCINI and S. VALERI, Techna Srl, 1999 (pp. 29 to 36).
    • (1999) Surface and Near-surface Analysis of Materials , vol.19 , pp. 29-36
    • Rennert, P.1    Stepanyuk, V.S.2    Hergert, W.3    Izquierdo, J.4    Vega, A.5    Balbás, L.C.6
  • 77
    • 0030994854 scopus 로고    scopus 로고
    • D. N. BERATAN, S. PRIYADARSHY, and S. M. RISSER, Chemistry and Biology 4, 3 (1997). S. PRIYADARSHY, S. M. RISSER, and D. N. BERATAN, J. Phys. Chem. 100, 17678 (1996). S. O. KELLEY and J. K. BARTON, Science 283, 375 (1999). H.-W. FINK and C. SCHÖNENBERGER, Nature 398, 407 (1999).
    • (1997) Chemistry and Biology , vol.4 , pp. 3
    • Beratan, D.N.1    Priyadarshy, S.2    Risser, S.M.3
  • 78
    • 0012655895 scopus 로고    scopus 로고
    • D. N. BERATAN, S. PRIYADARSHY, and S. M. RISSER, Chemistry and Biology 4, 3 (1997). S. PRIYADARSHY, S. M. RISSER, and D. N. BERATAN, J. Phys. Chem. 100, 17678 (1996). S. O. KELLEY and J. K. BARTON, Science 283, 375 (1999). H.-W. FINK and C. SCHÖNENBERGER, Nature 398, 407 (1999).
    • (1996) J. Phys. Chem. , vol.100 , pp. 17678
    • Priyadarshy, S.1    Risser, S.M.2    Beratan, D.N.3
  • 79
    • 0033555454 scopus 로고    scopus 로고
    • D. N. BERATAN, S. PRIYADARSHY, and S. M. RISSER, Chemistry and Biology 4, 3 (1997). S. PRIYADARSHY, S. M. RISSER, and D. N. BERATAN, J. Phys. Chem. 100, 17678 (1996). S. O. KELLEY and J. K. BARTON, Science 283, 375 (1999). H.-W. FINK and C. SCHÖNENBERGER, Nature 398, 407 (1999).
    • (1999) Science , vol.283 , pp. 375
    • Kelley, S.O.1    Barton, J.K.2
  • 80
    • 0042228263 scopus 로고    scopus 로고
    • D. N. BERATAN, S. PRIYADARSHY, and S. M. RISSER, Chemistry and Biology 4, 3 (1997). S. PRIYADARSHY, S. M. RISSER, and D. N. BERATAN, J. Phys. Chem. 100, 17678 (1996). S. O. KELLEY and J. K. BARTON, Science 283, 375 (1999). H.-W. FINK and C. SCHÖNENBERGER, Nature 398, 407 (1999).
    • (1999) Nature , vol.398 , pp. 407
    • Fink, H.-W.1    Schönenberger, C.2
  • 86
    • 85037761258 scopus 로고    scopus 로고
    • Thesis, Universidad Autónoma de Madrid, March
    • J. I. PASCUAL, Thesis, Universidad Autónoma de Madrid, March 1998. J. I. PASCUAL, J. GÓMEZ-HERRERO, and A. BARÓN, unpublished.
    • (1998)
    • Pascual, J.I.1
  • 88
    • 85037783387 scopus 로고    scopus 로고
    • Thesis, Universidad Autónoma de Madrid, June
    • D. SÁNCHEZ-PORTAL, Thesis, Universidad Autónoma de Madrid, June 1998.
    • (1998)
    • Sánchez-Portal, D.1
  • 93
    • 85037757732 scopus 로고    scopus 로고
    • private communication
    • X. HU and D. SARID, private communication.
    • Hu, X.1    Sarid, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.