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Volumn 120, Issue 10, 2004, Pages 4683-4689

Binding energies of small lithium clusters (Li n) and hydrogenated lithium clusters (Li nH)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGY; DENSITY FUNCTIONAL THEORY (DFT);

EID: 1842530920     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1645242     Document Type: Article
Times cited : (64)

References (47)
  • 21
    • 1842601083 scopus 로고    scopus 로고
    • private communication
    • C. H. Wu (private communication).
    • Wu, C.H.1
  • 34
    • 1842548776 scopus 로고    scopus 로고
    • private communication
    • K. A. Peterson (private communication).
    • Peterson, K.A.1
  • 35
    • 1842496575 scopus 로고    scopus 로고
    • note
    • ACES II, J. F. Stanton, J. Gauss, W. J. Lauderdale, J. D. Watts, and R. J. Bartlett. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
  • 39
    • 84862056410 scopus 로고    scopus 로고
    • CCSD(T)/cc-pwCVDZ bond lengths were 3.018 and 2.679 Å
    • CCSD(T)/cc-pwCVDZ bond lengths were 3.018 and 2.679 Å.
  • 45
    • 1842548777 scopus 로고    scopus 로고
    • note
    • n with increasing cluster size for some functionals but yield an energy ordering analogous to the CI scaled results for other functionals (Refs. 14 and 15).
  • 46
    • 84862056411 scopus 로고    scopus 로고
    • 4H
    • 4H.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.