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Volumn 102, Issue 12, 1998, Pages 2215-2222

Locality and sparsity of Ab initio one-particle density matrices and localized orbitals

Author keywords

[No Author keywords available]

Indexed keywords


EID: 4243617877     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972919j     Document Type: Article
Times cited : (100)

References (95)
  • 3
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    • Boys, S. F. In Löwdin (ref 91), 253
    • Boys, S. F. In Löwdin (ref 91), 253.
  • 5
    • 85034301739 scopus 로고    scopus 로고
    • Edmiston, C.; Ruedenberg, K. In Löwdin (ref 91), 263
    • Edmiston, C.; Ruedenberg, K. In Löwdin (ref 91), 263.
  • 26
    • 11544282305 scopus 로고
    • Diercksen, G. H. F., Sutcliffe, B. T., Veillard, A., Eds.; NATO Advnced Study Institutes Series. Series C, Mathematical and Physical Sciences 15; Reidel: Boston
    • Robb, M. A. In Computational Techniques in Quantum Chemistry and Molecular Physics; Diercksen, G. H. F., Sutcliffe, B. T., Veillard, A., Eds.; NATO Advnced Study Institutes Series. Series C, Mathematical and Physical Sciences 15; Reidel: Boston, 1975; p 435.
    • (1975) Computational Techniques in Quantum Chemistry and Molecular Physics , pp. 435
    • Robb, M.A.1
  • 45
    • 85034275338 scopus 로고    scopus 로고
    • Manuscript in preparation
    • White, C. A.; Head-Gordon, M. 1997, Manuscript in preparation.
    • (1997)
    • White, C.A.1    Head-Gordon, M.2
  • 53
  • 59
    • 77956944547 scopus 로고
    • Seitz, F., Turnbull, D., Eds.; Academic: NY
    • Blount, E. I. In Solid State Physics: Seitz, F., Turnbull, D., Eds.; Academic: NY, 1962; Vol. 13, p 305.
    • (1962) Solid State Physics , vol.13 , pp. 305
    • Blount, E.I.1
  • 64
    • 11544276832 scopus 로고
    • in English, translated by Scripta, Technica, Inc.
    • Larin, V. B. Dokl. Akad. Nauk SSSR 1991, 320, 356 (in English, translated by Scripta, Technica, Inc.).
    • (1991) Dokl. Akad. Nauk SSSR , vol.320 , pp. 356
    • Larin, V.B.1
  • 92
    • 85034292217 scopus 로고    scopus 로고
    • note
    • 70
  • 93
    • 85034304691 scopus 로고    scopus 로고
    • note
    • For examples of discussions of the role of minimal basis sets in performing and analyzing SCF calculations, see: refs 46, 75-84.
  • 94
    • 85034308819 scopus 로고    scopus 로고
    • note
    • The HOMO-LUMO gap may decrease further if diffuse Gaussians or loq momentum plane waves are added to the basis.
  • 95
    • 85034310323 scopus 로고    scopus 로고
    • note
    • 18


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.