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Volumn 121, Issue 8, 2004, Pages 3463-3470

Polarization consistent basis sets. V. The elements Si-Cl

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; HARMONIC VIBRATIONAL FREQUENCIES; HOMONUCLEAR MOLECULES; POLARIZATION FUNCTIONS;

EID: 4444283576     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1756866     Document Type: Article
Times cited : (181)

References (41)
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    • note
    • The six p functions for Cl, S, and P correspond to a 4/2 distribution between the 2p and 3p shells, while the distribution is 5/1 for Si. For consistency the Si p exponents were generated by extrapolation from the corresponding optimized S and P exponents.
  • 22
    • 4444299148 scopus 로고    scopus 로고
    • See EPAPS Document No. E-JCPSA6-121-312425 for supplementary tables. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information
    • See EPAPS Document No. E-JCPSA6-121-312425 for supplementary tables. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
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    • F. Jensen (unpublished)
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    • edited by H. F. Schaefer III (Plenum, New York)
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    • T. H. Dunning, Jr. and P. J. Hay, in Methods of Electronic Structure Theory, edited by H. F. Schaefer III (Plenum, New York, 1977), Vol. 3; E. Magnusson and H. F. Schaefer III, J. Chem. Phys. 83, 5721 (1985).
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    • Magnusson, E.1    Schaefer III, H.F.2


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