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Volumn 114, Issue 2, 2001, Pages 631-638

Thomas-Fermi-Dirac-von Weizsacker models in finite systems

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; FERMI LEVEL; INTEGRODIFFERENTIAL EQUATIONS; KINETIC ENERGY; MATHEMATICAL MODELS; NUCLEAR ENERGY; NUMERICAL METHODS;

EID: 0035124690     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1321308     Document Type: Article
Times cited : (73)

References (34)
  • 18
    • 0342773584 scopus 로고    scopus 로고
    • note
    • More specifically, Balazs has argued that binding is not possible if the density is a function of the total classical electrostatic potential.
  • 27
    • 0000546141 scopus 로고
    • V. I. Lebedev, Sibirsk, Mat. Zh 18, 132 (1975); Russ. Acad. Sci. Dokl. Math. 45, 593 (1992).
    • (1975) Sibirsk, Mat. Zh , vol.18 , pp. 132
    • Lebedev, V.I.1
  • 28
    • 84913000103 scopus 로고
    • V. I. Lebedev, Sibirsk, Mat. Zh 18, 132 (1975); Russ. Acad. Sci. Dokl. Math. 45, 593 (1992).
    • (1992) Russ. Acad. Sci. Dokl. Math. , vol.45 , pp. 593
  • 31
    • 35348906888 scopus 로고
    • T. H. Dunning, Jr., J. Chem. Phys. 55, 716 (1971). These basis sets are contracted 5s4p quality for the first-row atoms, and contracted 3s quality for H. In the TZ2P calculations, we have added polarization functions (p type for H, d type for other first-row atoms), with exponents 0.4. 0.1 for H, 1.2, 0.4 for C, 1.35, 0.45 for N, 1.35, 0.45 for O, 2.0, 0.67 for F.
    • (1971) J. Chem. Phys. , vol.55 , pp. 716
    • Dunning T.H., Jr.1
  • 32
    • 0003990718 scopus 로고    scopus 로고
    • Cambridge, UK, A suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, N. Koga, K. E. Laidig, P. E. Maslen, C. W. Murray, J. E. Rice, J. Sanz, E. D. Simandiras, A. J. Stone, M.-D. Su, and D. J. Tozer
    • CADPAC: Cambridge Analytical Derivatives Package Issue 6.5, Cambridge, UK, 1998: A suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, N. Koga, K. E. Laidig, P. E. Maslen, C. W. Murray, J. E. Rice, J. Sanz, E. D. Simandiras, A. J. Stone, M.-D. Su, and D. J. Tozer.
    • (1998) CADPAC: Cambridge Analytical Derivatives Package Issue 6.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.