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Volumn 92, Issue 24, 2004, Pages

Van der Waals density functional for general geometries

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BENZENE; BONDING; DIMERS; ELECTRODYNAMICS; FOURIER TRANSFORMS; STRUCTURE (COMPOSITION); SURFACE PHENOMENA; TRANSITION METALS; VAN DER WAALS FORCES;

EID: 3242718844     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.92.246401     Document Type: Article
Times cited : (5073)

References (17)
  • 4
    • 85032426314 scopus 로고    scopus 로고
    • to be published
    • D. C. Langreth et al., Int. J. Quantum Chem. (to be published); http://www.physics.rutgers.edu/~langreth/preprints/dft2003.pdf.
    • Int. J. Quantum Chem.
    • Langreth, D.C.1
  • 5
    • 85032428558 scopus 로고    scopus 로고
    • note
    • If both spatial arguments of ̃x are on one fragment, its value is still influenced by spectator interactions with other fragments.
  • 12
    • 85032427304 scopus 로고    scopus 로고
    • note
    • c, but with the triangular vertex parts [see Fig. 3(c) in Ref. [11]] evaluated in local-density approximations. The gross failure of the old-fashioned gradient approximation, due to the unwitting attempt to expand the van der Waals interaction in terms of semilocal gradients, is obviated here by treating the van der Waals term in a more appropriate approximation.
  • 14
    • 0035891306 scopus 로고    scopus 로고
    • X. Wu et al., J. Chem. Phys. 115, 8748 (2001).
    • (2001) J. Chem. Phys. , vol.115 , pp. 8748
    • Wu, X.1
  • 15
    • 85088489054 scopus 로고    scopus 로고
    • note
    • nl.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.