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Volumn 121, Issue 12, 2004, Pages 5661-5675

Ab initio study of AmCl +: F-f spectroscopy and chemical binding

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION INTERACTION (CI); CRYSTAL FIELD FORMATION; MULTICONFIGURATION SELF-CONSISTENT-FIELD (MCSCF); SPIN-ORBIT (SO);

EID: 5444267284     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1665420     Document Type: Article
Times cited : (4)

References (42)
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    • J. V. Beitz, Similarities and Differences in Trivalent Lanthanide- and Actinide-Ion Solution Absorption Spectra and Luminescence Studies. Handbook on the Physics and Chemistry of Rare Earths, Vol 18, -Lanthanides/Actinides: Chemistry, edited by K. A. Gschneidner, Jr., L. Eyring, G. R. Choppin, and G. H. Lander (Elsevier Science, New York, 1994).
    • (1994) Handbook on the Physics and Chemistry of Rare Earths, Vol 18, -lanthanides/Actinides: Chemistry , vol.18
    • Beitz, J.V.1
  • 2
    • 0006035779 scopus 로고
    • A systematic study of the spectra of trivalent actinide chlorides in D3h site symmetry
    • ANL-89/39
    • W. T. Carnall, A Systematic Study of the Spectra of Trivalent Actinide Chlorides in D3h Site Symmetry, Argonne National Laboratory Report, ANL-89/39, 1989.
    • (1989) Argonne National Laboratory Report
    • Carnall, W.T.1
  • 3
    • 0004644773 scopus 로고
    • Optical spectra and electronic structure of actinide ions in compounds and in solution
    • ANL-84-90
    • W. T. Carnall and H. M. Crosswhite, Optical Spectra and Electronic Structure of Actinide Ions in Compounds and in Solution, Argonne National Laboratory Report, ANL-84-90, 1985.
    • (1985) Argonne National Laboratory Report
    • Carnall, W.T.1    Crosswhite, H.M.2
  • 6
    • 84962970313 scopus 로고
    • Multigram group separatoin of actinide and lanthanide elements by LiCl-based anion exchange
    • edited by J. D. Navratil and W. W. Schulz (American Chemical Society, Washington, DC)
    • E. D. Collins, D. E. Benker, F. R. Chattin, P. B. Orr, and R. G. Ross, Multigram Group Separatoin of Actinide and Lanthanide Elements by LiCl-Based Anion Exchange, in ACS Symposium Series 161, edited by J. D. Navratil and W. W. Schulz (American Chemical Society, Washington, DC, 1981), p. 147.
    • (1981) ACS Symposium Series , vol.161 , pp. 147
    • Collins, E.D.1    Benker, D.E.2    Chattin, F.R.3    Orr, P.B.4    Ross, R.G.5
  • 19
    • 0000219267 scopus 로고    scopus 로고
    • W. Liu, W. Kuechle, and M. Dolg, Phys. Rev. A 58, 1103 (1998); W. Kuechle, M. Dolg, H. Stoll, and H. Preuss, J. Chem. Phys. 100, 7535 (1994).
    • (1998) Phys. Rev. A , vol.58 , pp. 1103
    • Liu, W.1    Kuechle, W.2    Dolg, M.3
  • 22
    • 5444233973 scopus 로고    scopus 로고
    • R. M. Pitzer, Principal author
    • R. M. Pitzer, Principal author.
  • 25
    • 0001198991 scopus 로고
    • edited by H. F. Schaefer III (Plenum, New York)
    • I. Shavitt, in Methods of Electronic Structure Theory, edited by H. F. Schaefer III (Plenum, New York, 1977), pp. 189-275.
    • (1977) Methods of Electronic Structure Theory , pp. 189-275
    • Shavitt, I.1
  • 37
    • 5444255995 scopus 로고    scopus 로고
    • note
    • 0° is developed from two sources of information. The first is an empirical linear correlation of the dissociation energy of the neutral LnCl as a function of the number of f electrons. The uncertainty in the constant term in that correlation is ∼2 kcal/mol. The uncertainty in the slope is of a lesser amount (∼0.1 kcal/mol). The second is a measured ionization potential of LnCl with listed uncertainties of between ∼1.1 and ∼1.7 kcal/mol. Assuming the combine error is the square root of the sum of the squares, a ∼2.5 kcal/mol uncertainty is an appropriate estimate.
  • 40
    • 0037185317 scopus 로고    scopus 로고
    • e involved only five elements: Yb (1.16 Å) Tm (1.17 Å). Dy (1.21Å), Eu (1.31 Å), and Ba (1.49 Å).
    • (2002) Inorg. Chem. , vol.41 , pp. 167
    • Quadrelli, E.A.1
  • 41
    • 5444243515 scopus 로고    scopus 로고
    • note
    • + and the quadratic fit of Ref. 39 is shifted to agree with this value for Eu.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.